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1-hydroxy-4-unsubstituted benzenoids

Aromatic organic compounds that contain a hydroxyl functional group (R-OH, where each R is a benzene ring) with no substituents in the fourth carbon, or the fourth position, in the benzene ring.
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1

Benzyl 3-hydroxyphenylacetate, 98%

CAS: 295320-25-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD04039768 InChI Key: ALFOBMRIXXPJLQ-UHFFFAOYSA-N Synonym: benzyl 3-hydroxyphenylacetate,benzyl 2-3-hydroxyphenyl acetate,acmc-20alpo,benzyl-3-hydroxyphenylacetate,3-hydroxyphenylacetic acid benzyl ester,phenylmethyl 2-3-hydroxyphenyl acetate,3-hydroxy-phenyl-acetic acid benzyl ester PubChem CID: 7016416 IUPAC Name: benzyl 2-(3-hydroxyphenyl)acetate SMILES: OC1=CC=CC(CC(=O)OCC2=CC=CC=C2)=C1

PubChem CID 7016416
CAS 295320-25-1
Molecular Weight (g/mol) 242.27
MDL Number MFCD04039768
SMILES OC1=CC=CC(CC(=O)OCC2=CC=CC=C2)=C1
Synonym benzyl 3-hydroxyphenylacetate,benzyl 2-3-hydroxyphenyl acetate,acmc-20alpo,benzyl-3-hydroxyphenylacetate,3-hydroxyphenylacetic acid benzyl ester,phenylmethyl 2-3-hydroxyphenyl acetate,3-hydroxy-phenyl-acetic acid benzyl ester
IUPAC Name benzyl 2-(3-hydroxyphenyl)acetate
InChI Key ALFOBMRIXXPJLQ-UHFFFAOYSA-N
Molecular Formula C15H14O3
2

2-Benzyloxyphenol, 98%

CAS: 6272-38-4 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00002186 InChI Key: CCZCXFHJMKINPE-UHFFFAOYSA-N Synonym: 2-benzyloxy phenol,2-benzyloxyphenol,phenol, 2-phenylmethoxy,benzyloxyphenol,benzyl o-hydroxyphenyl ether,2-phenylmethoxy phenol,2-benzyloxy-phenol,o-benzyloxy phenol PubChem CID: 80459 IUPAC Name: 2-phenylmethoxyphenol SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2O

PubChem CID 80459
CAS 6272-38-4
Molecular Weight (g/mol) 200.237
MDL Number MFCD00002186
SMILES C1=CC=C(C=C1)COC2=CC=CC=C2O
Synonym 2-benzyloxy phenol,2-benzyloxyphenol,phenol, 2-phenylmethoxy,benzyloxyphenol,benzyl o-hydroxyphenyl ether,2-phenylmethoxy phenol,2-benzyloxy-phenol,o-benzyloxy phenol
IUPAC Name 2-phenylmethoxyphenol
InChI Key CCZCXFHJMKINPE-UHFFFAOYSA-N
Molecular Formula C13H12O2
3

(S)-Phenylephrine Hydrochloride, TRC

CAS: 939-38-8 Molecular Formula: C9 H13 N O2 . Cl H Molecular Weight (g/mol): 203.67 Synonym: Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αS)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (S)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αS)- (9CI),Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (+)- (8CI),(+)-Phenylephrine hydrochloride,(S)-Phenylephrine hydrochloride,(1S)-1-(3-Hydroxyphenyl)-2-(N-methylamino)ethanol hydrochloride,N-[(2S)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylamine hydrochloride,(+)-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride,D-Phenylephedrine hydrochloride,(αS)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol Hydrochloride (1:1) IUPAC Name: 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride SMILES: Cl.CNC[C@@H](O)c1cccc(O)c1

CAS 939-38-8
Molecular Weight (g/mol) 203.67
SMILES Cl.CNC[C@@H](O)c1cccc(O)c1
Synonym Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αS)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (S)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αS)- (9CI),Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (+)- (8CI),(+)-Phenylephrine hydrochloride,(S)-Phenylephrine hydrochloride,(1S)-1-(3-Hydroxyphenyl)-2-(N-methylamino)ethanol hydrochloride,N-[(2S)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylamine hydrochloride,(+)-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride,D-Phenylephedrine hydrochloride,(αS)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol Hydrochloride (1:1)
IUPAC Name 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
Molecular Formula C9 H13 N O2 . Cl H
4

L-Phenylephrine, TRC

CAS: 59-42-7 Molecular Formula: C9 H13 N O2 Molecular Weight (g/mol): 167.2 Synonym: Phenylephrine,(1R)-1-(3-Hydroxyphenyl)-2-(methylamino)ethanol,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (αR)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (R)-,Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, (-)- (7CI,8CI),(αR)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol,(-)-Phenylephrine,(-)-m-Hydroxy-α-(methylaminomethyl)benzyl alcohol,(-)-m-Oxedrine,(-)-m-Synephrine,(R)-(-)-Phenylephrine,(R)-3-[1-Hydroxy-2-(methylamino)ethyl]phenol,(R)-Phenylephrine,3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol,Iriphrin,L-Phenylephedrine,Mesaton,Mesatone,Metaoxedrin,Metaoxedrine,Metasympatol,Metasynephrine,Mezaton,Neo-Synephrine,R(-)-Mezaton,Visadron,l-Phenylephrine,l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol,m-Methylaminoethanolphenol,m-Oxedrine,m-Sympathol,m-Sympatol,m-Synephrine IUPAC Name: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol SMILES: CNC[C@H](O)c1cccc(O)c1

CAS 59-42-7
Molecular Weight (g/mol) 167.2
SMILES CNC[C@H](O)c1cccc(O)c1
Synonym Phenylephrine,(1R)-1-(3-Hydroxyphenyl)-2-(methylamino)ethanol,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (αR)-,Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, (R)-,Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, (-)- (7CI,8CI),(αR)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol,(-)-Phenylephrine,(-)-m-Hydroxy-α-(methylaminomethyl)benzyl alcohol,(-)-m-Oxedrine,(-)-m-Synephrine,(R)-(-)-Phenylephrine,(R)-3-[1-Hydroxy-2-(methylamino)ethyl]phenol,(R)-Phenylephrine,3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol,Iriphrin,L-Phenylephedrine,Mesaton,Mesatone,Metaoxedrin,Metaoxedrine,Metasympatol,Metasynephrine,Mezaton,Neo-Synephrine,R(-)-Mezaton,Visadron,l-Phenylephrine,l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol,m-Methylaminoethanolphenol,m-Oxedrine,m-Sympathol,m-Sympatol,m-Synephrine
IUPAC Name 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Molecular Formula C9 H13 N O2
5

Guaiacol, 99+%

CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

EDGE
PubChem CID 460
CAS 90-05-1
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:28591
SMILES COC1=CC=CC=C1O
Synonym guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
6

2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

EDGE
PubChem CID 7041
CAS 91-10-1
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:955
MDL Number MFCD00064434
SMILES COC1=CC=CC(OC)=C1O
Synonym syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name 2,6-dimethoxyphenol
InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula C8H10O3
7

rac Norphenylephrine Hydrochloride (Phenylephrine Impurity A), TRC

CAS: 4779-94-6 Molecular Formula: C8 H11 N O2 . Cl H Molecular Weight (g/mol): 189.64 Synonym: (1RS)-2-Amino-1-(3-hydroxyphenyl)ethanol Hydrochloride,Etilefrine Hydrochloride Imp. C (EP) as Hydrochloride,Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (1:1),Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (9CI),Benzyl alcohol, α-(aminomethyl)-m-hydroxy-, hydrochloride (6CI,8CI),(±)-Norphenylephrine hydrochloride,(±)-m-Octopamine hydrochloride,1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride,2-Amino-1-(3-hydroxyphenyl)ethanol hydrochloride,Coritat,DL-m-Octopamine hydrochloride,Depot-Novadral,Energona,Esbuphon,Molycor R,NSC 100733,NSC 297582,Norfenefrin,Norfenefrine hydrochloride,Norphenephrine hydrochloride,Norphenylephrine hydrochloride,Novadral,Stagural,Tonolift,Vingsal,WV 569,Zondel,dl-Norfenefrine hydrochloride,m-Octopamine hydrochloride,α-(Aminomethyl)-m-hydroxybenzyl alcohol hydrochloride IUPAC Name: 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride SMILES: Cl.NCC(O)c1cccc(O)c1

CAS 4779-94-6
Molecular Weight (g/mol) 189.64
SMILES Cl.NCC(O)c1cccc(O)c1
Synonym (1RS)-2-Amino-1-(3-hydroxyphenyl)ethanol Hydrochloride,Etilefrine Hydrochloride Imp. C (EP) as Hydrochloride,Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (1:1),Benzenemethanol, α-(aminomethyl)-3-hydroxy-, hydrochloride (9CI),Benzyl alcohol, α-(aminomethyl)-m-hydroxy-, hydrochloride (6CI,8CI),(±)-Norphenylephrine hydrochloride,(±)-m-Octopamine hydrochloride,1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride,2-Amino-1-(3-hydroxyphenyl)ethanol hydrochloride,Coritat,DL-m-Octopamine hydrochloride,Depot-Novadral,Energona,Esbuphon,Molycor R,NSC 100733,NSC 297582,Norfenefrin,Norfenefrine hydrochloride,Norphenephrine hydrochloride,Norphenylephrine hydrochloride,Novadral,Stagural,Tonolift,Vingsal,WV 569,Zondel,dl-Norfenefrine hydrochloride,m-Octopamine hydrochloride,α-(Aminomethyl)-m-hydroxybenzyl alcohol hydrochloride
IUPAC Name 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride
Molecular Formula C8 H11 N O2 . Cl H
8

4-Nonylphenol, 99%, mixture of isomers

CAS: 84852-15-3 MDL Number: MFCD00002396 InChI Key: SNQQPOLDUKLAAF-UHFFFAOYSA-N Synonym: phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers PubChem CID: 67296 IUPAC Name: 2-nonylphenol SMILES: CCCCCCCCCC1=CC=CC=C1O

PubChem CID 67296
CAS 84852-15-3
MDL Number MFCD00002396
SMILES CCCCCCCCCC1=CC=CC=C1O
Synonym phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers
IUPAC Name 2-nonylphenol
InChI Key SNQQPOLDUKLAAF-UHFFFAOYSA-N
9

2-Hydroxybenzonitrile, 98%

CAS: 611-20-1 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002145 InChI Key: CHZCERSEMVWNHL-UHFFFAOYSA-N Synonym: 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile PubChem CID: 11907 IUPAC Name: 2-hydroxybenzonitrile SMILES: C1=CC=C(C(=C1)C#N)O

PubChem CID 11907
CAS 611-20-1
Molecular Weight (g/mol) 119.123
MDL Number MFCD00002145
SMILES C1=CC=C(C(=C1)C#N)O
Synonym 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile
IUPAC Name 2-hydroxybenzonitrile
InChI Key CHZCERSEMVWNHL-UHFFFAOYSA-N
Molecular Formula C7H5NO
11

m-Nitrophenol, 99.9%, For GC analysis, MP Biomedicals™

CAS: 554-84-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007240 InChI Key: RTZZCYNQPHTPPL-UHFFFAOYSA-N Synonym: m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene PubChem CID: 11137 ChEBI: CHEBI:34346 IUPAC Name: 3-nitrophenol SMILES: OC1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 11137
CAS 554-84-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:34346
MDL Number MFCD00007240
SMILES OC1=CC=CC(=C1)[N+]([O-])=O
Synonym m-nitrophenol,3-hydroxynitrobenzene,m-hydroxynitrobenzene,phenol, 3-nitro,phenol, m-nitro,m-nitrofenol,meta-nitrophenol,3-nitro-phenol,m-nitrofenol czech,1-hydroxy-3-nitrobenzene
IUPAC Name 3-nitrophenol
InChI Key RTZZCYNQPHTPPL-UHFFFAOYSA-N
Molecular Formula C6H5NO3
12

3-Nitro-5-(trifluoromethyl)phenol, 98%, Thermo Scientific Chemicals

CAS: 349-57-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD04973779 InChI Key: JDIAMHNYAPDMRB-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl phenol,3-hydroxy-5-nitrobenzotrifluoride,3-trifluoromethyl-5-nitrophenol,phenol, 3-nitro-5-trifluoromethyl,pubchem4155,acmc-1cjq4,3-nitro-5-trifluoromethyl-phenol,3-hydroxy-5-trifluoromethyl nitrobenzene PubChem CID: 2756251 IUPAC Name: 3-nitro-5-(trifluoromethyl)phenol SMILES: OC1=CC(=CC(=C1)[N+]([O-])=O)C(F)(F)F

PubChem CID 2756251
CAS 349-57-5
Molecular Weight (g/mol) 207.11
MDL Number MFCD04973779
SMILES OC1=CC(=CC(=C1)[N+]([O-])=O)C(F)(F)F
Synonym 3-nitro-5-trifluoromethyl phenol,3-hydroxy-5-nitrobenzotrifluoride,3-trifluoromethyl-5-nitrophenol,phenol, 3-nitro-5-trifluoromethyl,pubchem4155,acmc-1cjq4,3-nitro-5-trifluoromethyl-phenol,3-hydroxy-5-trifluoromethyl nitrobenzene
IUPAC Name 3-nitro-5-(trifluoromethyl)phenol
InChI Key JDIAMHNYAPDMRB-UHFFFAOYSA-N
Molecular Formula C7H4F3NO3
13

3-Hydroxybenzonitrile, 99%

CAS: 873-62-1 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002252 InChI Key: SGHBRHKBCLLVCI-UHFFFAOYSA-N Synonym: 3-cyanophenol,m-hydroxybenzonitrile,m-cyanophenol,benzonitrile, 3-hydroxy,benzonitrile, m-hydroxy,3-hydroxy-benzonitrile,3-cyano phenol,3-cyano-phenol,3-hydroxy benzonitrile,pubchem13113 PubChem CID: 13394 IUPAC Name: 3-hydroxybenzonitrile SMILES: C1=CC(=CC(=C1)O)C#N

PubChem CID 13394
CAS 873-62-1
Molecular Weight (g/mol) 119.123
MDL Number MFCD00002252
SMILES C1=CC(=CC(=C1)O)C#N
Synonym 3-cyanophenol,m-hydroxybenzonitrile,m-cyanophenol,benzonitrile, 3-hydroxy,benzonitrile, m-hydroxy,3-hydroxy-benzonitrile,3-cyano phenol,3-cyano-phenol,3-hydroxy benzonitrile,pubchem13113
IUPAC Name 3-hydroxybenzonitrile
InChI Key SGHBRHKBCLLVCI-UHFFFAOYSA-N
Molecular Formula C7H5NO
14

2-Nitrophenol, 98%

CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O

PubChem CID 6947
CAS 88-75-5
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16260
MDL Number MFCD00011688
SMILES OC1=CC=CC=C1[N+]([O-])=O
Synonym o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech
IUPAC Name 2-nitrophenol
InChI Key IQUPABOKLQSFBK-UHFFFAOYSA-N
Molecular Formula C6H5NO3
15

2-Cyanophenol, 99%

CAS: 611-20-1 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00002145 InChI Key: CHZCERSEMVWNHL-UHFFFAOYSA-N Synonym: 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile PubChem CID: 11907 IUPAC Name: 2-hydroxybenzonitrile SMILES: C1=CC=C(C(=C1)C#N)O

PubChem CID 11907
CAS 611-20-1
Molecular Weight (g/mol) 119.12
MDL Number MFCD00002145
SMILES C1=CC=C(C(=C1)C#N)O
Synonym 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile
IUPAC Name 2-hydroxybenzonitrile
InChI Key CHZCERSEMVWNHL-UHFFFAOYSA-N
Molecular Formula C7H5NO