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Organooxygen compounds

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1
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L-Ascorbic Acid (Crystalline/Certified ACS), Fisher Chemical™

CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

EDGE
PubChem CID 54670067
CAS 50-81-7
Molecular Weight (g/mol) 176.12
ChEBI CHEBI:29073
MDL Number MFCD00064328
SMILES OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
InChI Key CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula C6H8O6
2
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L-Ascorbic Acid (White Crystalline Powder), Fisher BioReagents

CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

EDGE
PubChem CID 54670067
CAS 50-81-7
Molecular Weight (g/mol) 176.12
ChEBI CHEBI:29073
MDL Number MFCD00064328
SMILES OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula C6H8O6
3
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Ascorbic Acid (Powder/USP/FCC), Fisher Chemical™

CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

EDGE
PubChem CID 54670067
CAS 50-81-7
Molecular Weight (g/mol) 176.12
ChEBI CHEBI:29073
MDL Number MFCD00064328
SMILES OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
InChI Key CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula C6H8O6
4

Phenylcyclohexylglycolic Acid, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

5

Lithocholic Acid, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

6
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L-(+)-Ascorbic acid, 99+%

CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

PubChem CID 54670067
CAS 50-81-7
Molecular Weight (g/mol) 176.12
ChEBI CHEBI:29073
MDL Number MFCD00064328
SMILES OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
InChI Key CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula C6H8O6
7

Chlorogenic acid

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
8

Oxalacetic acid, 98+%

CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O

PubChem CID 970
CAS 328-42-7
Molecular Weight (g/mol) 132.071
ChEBI CHEBI:30744
MDL Number MFCD00002592
SMILES C(C(=O)C(=O)O)C(=O)O
Synonym oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate
IUPAC Name 2-oxobutanedioic acid
InChI Key KHPXUQMNIQBQEV-UHFFFAOYSA-N
Molecular Formula C4H4O5
9
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Oxalacetic acid, 97%

CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O

PubChem CID 970
CAS 328-42-7
Molecular Weight (g/mol) 132.071
ChEBI CHEBI:30744
MDL Number MFCD00002592
SMILES C(C(=O)C(=O)O)C(=O)O
Synonym oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate
IUPAC Name 2-oxobutanedioic acid
InChI Key KHPXUQMNIQBQEV-UHFFFAOYSA-N
Molecular Formula C4H4O5
10
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Pyruvic acid, 98%

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

PubChem CID 1060
CAS 127-17-3
Molecular Weight (g/mol) 88.06
ChEBI CHEBI:32816
MDL Number MFCD00002585
SMILES CC(=O)C(O)=O
Synonym pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure
IUPAC Name 2-oxopropanoic acid
InChI Key LCTONWCANYUPML-UHFFFAOYSA-N
Molecular Formula C3H4O3
11
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Oxalacetic acid, 98%

CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.07 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O

PubChem CID 970
CAS 328-42-7
Molecular Weight (g/mol) 132.07
ChEBI CHEBI:30744
MDL Number MFCD00002592
SMILES C(C(=O)C(=O)O)C(=O)O
Synonym oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate
IUPAC Name 2-oxobutanedioic acid
InChI Key KHPXUQMNIQBQEV-UHFFFAOYSA-N
Molecular Formula C4H4O5
12
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Ethoxyacetic acid, 98%

CAS: 627-03-2 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004310 InChI Key: YZGQDNOIGFBYKF-UHFFFAOYSA-N Synonym: ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294 PubChem CID: 12301 IUPAC Name: 2-ethoxyacetic acid SMILES: CCOCC(=O)O

PubChem CID 12301
CAS 627-03-2
Molecular Weight (g/mol) 104.105
MDL Number MFCD00004310
SMILES CCOCC(=O)O
Synonym ethoxyacetic acid,acetic acid, ethoxy,ethoxy acetic acid,acetic acid, 2-ethoxy,ethoxy-acetic acid,unii-467vw095bx,o-ethylglycolic acid,ccris 7194,2-ethoxy-acetic acid,dsstox_cid_11294
IUPAC Name 2-ethoxyacetic acid
InChI Key YZGQDNOIGFBYKF-UHFFFAOYSA-N
Molecular Formula C4H8O3
13

(-)-Shikimic acid, 98%

CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O

PubChem CID 7057976
CAS 138-59-0
Molecular Weight (g/mol) 173.144
ChEBI CHEBI:36208
MDL Number MFCD00066278
SMILES C1C(C(C(C=C1C(=O)[O-])O)O)O
Synonym shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid
IUPAC Name (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate
InChI Key JXOHGGNKMLTUBP-HSUXUTPPSA-M
Molecular Formula C7H9O5-
14
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Methoxyacetic acid, 97%

CAS: 625-45-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004308 InChI Key: RMIODHQZRUFFFF-UHFFFAOYSA-N Synonym: methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 PubChem CID: 12251 IUPAC Name: 2-methoxyacetic acid SMILES: COCC(=O)O

PubChem CID 12251
CAS 625-45-6
Molecular Weight (g/mol) 90.078
MDL Number MFCD00004308
SMILES COCC(=O)O
Synonym methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518
IUPAC Name 2-methoxyacetic acid
InChI Key RMIODHQZRUFFFF-UHFFFAOYSA-N
Molecular Formula C3H6O3
15
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Bromopyruvic acid, 97%

CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br

PubChem CID 70684
CAS 1113-59-3
Molecular Weight (g/mol) 166.958
MDL Number MFCD00002587
SMILES C(C(=O)C(=O)O)Br
Synonym 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid
IUPAC Name 3-bromo-2-oxopropanoic acid
InChI Key PRRZDZJYSJLDBS-UHFFFAOYSA-N
Molecular Formula C3H3BrO3