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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Carbonyl compounds (15)
Alcohols and polyols (14)
Enediols (2)

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Thermo Scientific Chemicals Ergosterol, 98%

CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

EDGE
PubChem CID 444679
CAS 57-87-4
Molecular Weight (g/mol) 396.64
ChEBI CHEBI:16933
MDL Number MFCD00003623
SMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
Synonym ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e
IUPAC Name (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI Key DNVPQKQSNYMLRS-APGDWVJJSA-N
Molecular Formula C28H44O
2

(S)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee)

CAS: 54656-96-1 MDL Number: MFCD00077866 InChI Key: HVOAMIOKNARIMR-LURJTMIESA-N Synonym: s-1-pyridin-4-yl ethanol,s---1-4-pyridyl ethanol,1s-1-pyridin-4-yl ethan-1-ol,1s-1-pyridin-4-yl ethanol,s-1-4-pyridyl ethanol,1s-1-4-pyridyl ethanol,s-1-4-pyridinyl ethanol,s--1-4-pyridyl ethanol,1s-1-4-pyridinyl ethanol,--s-1-4-pyridyl ethanol PubChem CID: 10920507 IUPAC Name: (1S)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O

PubChem CID 10920507
CAS 54656-96-1
MDL Number MFCD00077866
SMILES CC(C1=CC=NC=C1)O
Synonym s-1-pyridin-4-yl ethanol,s---1-4-pyridyl ethanol,1s-1-pyridin-4-yl ethan-1-ol,1s-1-pyridin-4-yl ethanol,s-1-4-pyridyl ethanol,1s-1-4-pyridyl ethanol,s-1-4-pyridinyl ethanol,s--1-4-pyridyl ethanol,1s-1-4-pyridinyl ethanol,--s-1-4-pyridyl ethanol
IUPAC Name (1S)-1-pyridin-4-ylethanol
InChI Key HVOAMIOKNARIMR-LURJTMIESA-N
3

1-Adamantanol, 99%

CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O

PubChem CID 64152
CAS 768-95-6
Molecular Weight (g/mol) 152.24
MDL Number MFCD00074729
SMILES C1C2CC3CC1CC(C2)(C3)O
Synonym 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol
IUPAC Name adamantan-1-ol
InChI Key VLLNJDMHDJRNFK-UHFFFAOYSA-N
Molecular Formula C10H16O
4
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Thermo Scientific Chemicals Chlorogenic acid, 98%

CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O

PubChem CID 1794427
CAS 327-97-9
Molecular Weight (g/mol) 354.31
ChEBI CHEBI:16112
MDL Number MFCD00003862
SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
Synonym chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri
IUPAC Name (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI Key CWVRJTMFETXNAD-JUHZACGLSA-N
Molecular Formula C16H18O9
5

2,6-Diacetylpyridine, 99%

CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O

PubChem CID 70790
CAS 1129-30-2
Molecular Weight (g/mol) 163.18
MDL Number MFCD00006304
SMILES CC(=O)C1=CC=CC(=N1)C(C)=O
Synonym 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144
IUPAC Name 1-(6-acetylpyridin-2-yl)ethanone
InChI Key BEZVGIHGZPLGBL-UHFFFAOYSA-N
Molecular Formula C9H9NO2
6

6-(Hydroxymethyl)benzothiazole, 97%, Thermo Scientific™

CAS: 19989-66-3 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 InChI Key: OZGXSRLIKDPNMX-UHFFFAOYSA-N Synonym: benzo d thiazol-6-ylmethanol,6-hydroxymethyl benzothiazole,6-benzothiazolemethanol,benzothiazol-6-yl-methanol,benzothiazol-6-yl methanol,benzothiazole-6-methanol,benzothiazol-6-ylmethanol,6-hydroxymethylbenzothiazole,benzo d thiazol-6-yl-methanol PubChem CID: 17860385 IUPAC Name: 1,3-benzothiazol-6-ylmethanol SMILES: C1=CC2=C(C=C1CO)SC=N2

PubChem CID 17860385
CAS 19989-66-3
Molecular Weight (g/mol) 165.21
SMILES C1=CC2=C(C=C1CO)SC=N2
Synonym benzo d thiazol-6-ylmethanol,6-hydroxymethyl benzothiazole,6-benzothiazolemethanol,benzothiazol-6-yl-methanol,benzothiazol-6-yl methanol,benzothiazole-6-methanol,benzothiazol-6-ylmethanol,6-hydroxymethylbenzothiazole,benzo d thiazol-6-yl-methanol
IUPAC Name 1,3-benzothiazol-6-ylmethanol
InChI Key OZGXSRLIKDPNMX-UHFFFAOYSA-N
Molecular Formula C8H7NOS
7

2-Bromo-4'-methylacetophenone, 97%

CAS: 619-41-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.07 MDL Number: MFCD00000203 InChI Key: KRVGXFREOJHJAX-UHFFFAOYSA-N Synonym: 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide PubChem CID: 69272 IUPAC Name: 2-bromo-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)CBr

PubChem CID 69272
CAS 619-41-0
Molecular Weight (g/mol) 213.07
MDL Number MFCD00000203
SMILES CC1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide
IUPAC Name 2-bromo-1-(4-methylphenyl)ethanone
InChI Key KRVGXFREOJHJAX-UHFFFAOYSA-N
Molecular Formula C9H9BrO
8

(R)-4-(1-Hydroxyethyl)pyridine, 99+%, (99+% ee), Thermo Scientific™

CAS: 27854-88-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00077865 InChI Key: HVOAMIOKNARIMR-ZCFIWIBFSA-N Synonym: r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol PubChem CID: 11804747 IUPAC Name: (1R)-1-pyridin-4-ylethanol SMILES: CC(C1=CC=NC=C1)O

PubChem CID 11804747
CAS 27854-88-2
Molecular Weight (g/mol) 123.15
MDL Number MFCD00077865
SMILES CC(C1=CC=NC=C1)O
Synonym r-1-pyridin-4-yl ethanol,r-+-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethan-1-ol,r-1-4-pyridyl ethanol,1r-1-pyridin-4-yl ethanol,r-4-1-hydroxyethyl pyridine,1r-1-pyridin-4-ylethanol,r-1-pyridin-4-yl-ethanol,1r-1-4-pyridyl ethanol
IUPAC Name (1R)-1-pyridin-4-ylethanol
InChI Key HVOAMIOKNARIMR-ZCFIWIBFSA-N
Molecular Formula C7H9NO
9
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8-Methoxypsoralen, 99%

CAS: 298-81-7 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 MDL Number: MFCD00005009 InChI Key: QXKHYNVANLEOEG-UHFFFAOYSA-N Synonym: methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin PubChem CID: 4114 ChEBI: CHEBI:18358 IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2OC=CC2=CC2=C1OC(=O)C=C2

PubChem CID 4114
CAS 298-81-7
Molecular Weight (g/mol) 216.19
ChEBI CHEBI:18358
MDL Number MFCD00005009
SMILES COC1=C2OC=CC2=CC2=C1OC(=O)C=C2
Synonym methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin
IUPAC Name 9-methoxyfuro[3,2-g]chromen-7-one
InChI Key QXKHYNVANLEOEG-UHFFFAOYSA-N
Molecular Formula C12H8O4
11

3,5-Dibromo-4-hydroxybenzaldehyde, 98%, Thermo Scientific™

CAS: 2973-77-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016980 InChI Key: SXRHGLQCOLNZPT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dibromo-4-hydroxy,timtec-bb sbb006529,acmc-1cr6c,3,5-dibromo-4-hydroxy benzaldehyde,3,5-dibromo-4-hydroxy-benzaldehyde,4-hydroxy-3,5-dibromo benzaldehyde,3,5-dibromo-4-hydroxybenzaldehyde,3,5-bis bromanyl-4-oxidanyl-benzaldehyde PubChem CID: 18100 IUPAC Name: 3,5-dibromo-4-hydroxybenzaldehyde SMILES: OC1=C(Br)C=C(C=O)C=C1Br

PubChem CID 18100
CAS 2973-77-5
Molecular Weight (g/mol) 279.92
MDL Number MFCD00016980
SMILES OC1=C(Br)C=C(C=O)C=C1Br
Synonym benzaldehyde, 3,5-dibromo-4-hydroxy,timtec-bb sbb006529,acmc-1cr6c,3,5-dibromo-4-hydroxy benzaldehyde,3,5-dibromo-4-hydroxy-benzaldehyde,4-hydroxy-3,5-dibromo benzaldehyde,3,5-dibromo-4-hydroxybenzaldehyde,3,5-bis bromanyl-4-oxidanyl-benzaldehyde
IUPAC Name 3,5-dibromo-4-hydroxybenzaldehyde
InChI Key SXRHGLQCOLNZPT-UHFFFAOYSA-N
Molecular Formula C7H4Br2O2
13

2,6-Dibromo-N-chloro-p-benzoquinoneimine, 97%

CAS: 537-45-1 Molecular Formula: C6H2Br2ClNO Molecular Weight (g/mol): 299.34 InChI Key: JYWKEVKEKOTYEX-UHFFFAOYSA-N Synonym: 2,6-dibromoquinone-4-chloroimide,2,6-dibromo-4-chloroimino cyclohexa-2,5-dienone,bqc reagent,2,6-dibromoquinone-4-chlorimide,2,6-dibromoquinone chlorimide,2,6-dibromoquinone chloroimide,2,6-dibromoquinone chloroimine,n-chloro-2,6-dibromoquinoneimine,2,5-cyclohexadien-1-one, 2,6-dibromo-4-chloroimino,2,6-dibromo-p-benzoquinone-4-chlorimine PubChem CID: 10835 IUPAC Name: 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one SMILES: C1=C(C(=O)C(=CC1=NCl)Br)Br

PubChem CID 10835
CAS 537-45-1
Molecular Weight (g/mol) 299.34
SMILES C1=C(C(=O)C(=CC1=NCl)Br)Br
Synonym 2,6-dibromoquinone-4-chloroimide,2,6-dibromo-4-chloroimino cyclohexa-2,5-dienone,bqc reagent,2,6-dibromoquinone-4-chlorimide,2,6-dibromoquinone chlorimide,2,6-dibromoquinone chloroimide,2,6-dibromoquinone chloroimine,n-chloro-2,6-dibromoquinoneimine,2,5-cyclohexadien-1-one, 2,6-dibromo-4-chloroimino,2,6-dibromo-p-benzoquinone-4-chlorimine
IUPAC Name 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one
InChI Key JYWKEVKEKOTYEX-UHFFFAOYSA-N
Molecular Formula C6H2Br2ClNO
14

5-Methoxyindole-3-carboxaldehyde, 99+%, Thermo Scientific™

CAS: 10601-19-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005623 InChI Key: TUWARWGEOHQXCO-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde PubChem CID: 82758 IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde SMILES: COC1=CC=C2NC=C(C=O)C2=C1

PubChem CID 82758
CAS 10601-19-1
Molecular Weight (g/mol) 175.19
MDL Number MFCD00005623
SMILES COC1=CC=C2NC=C(C=O)C2=C1
Synonym 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde
IUPAC Name 5-methoxy-1H-indole-3-carbaldehyde
InChI Key TUWARWGEOHQXCO-UHFFFAOYSA-N
Molecular Formula C10H9NO2