Carbonyl compounds
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Aloe Emodin 97.0+%, TCI America™
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CAS: 481-72-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017373 InChI Key: YDQWDHRMZQUTBA-UHFFFAOYSA-N Synonym: 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone PubChem CID: 10207 ChEBI: CHEBI:2607 IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
| PubChem CID | 10207 |
|---|---|
| CAS | 481-72-1 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:2607 |
| MDL Number | MFCD00017373 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
| Synonym | 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
| InChI Key | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
2-Hydroxy-2-methylpropiophenone 96.0+%, TCI America™
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CAS: 7473-98-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00040710 InChI Key: XMLYCEVDHLAQEL-UHFFFAOYSA-N Synonym: 2-Benzoyl-2-propanol PubChem CID: 81984 IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one SMILES: CC(C)(C(=O)C1=CC=CC=C1)O
| PubChem CID | 81984 |
|---|---|
| CAS | 7473-98-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00040710 |
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)O |
| Synonym | 2-Benzoyl-2-propanol |
| IUPAC Name | 2-hydroxy-2-methyl-1-phenylpropan-1-one |
| InChI Key | XMLYCEVDHLAQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2,5-Diformylfuran 98.0+%, TCI America™
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CAS: 823-82-5 Molecular Formula: C6H4O3 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00671517 InChI Key: PXJJKVNIMAZHCB-UHFFFAOYSA-N Synonym: 2,5-Furandicarboxaldehyde PubChem CID: 69980 ChEBI: CHEBI:83385 IUPAC Name: furan-2,5-dicarbaldehyde SMILES: O=CC1=CC=C(O1)C=O
| PubChem CID | 69980 |
|---|---|
| CAS | 823-82-5 |
| Molecular Weight (g/mol) | 124.10 |
| ChEBI | CHEBI:83385 |
| MDL Number | MFCD00671517 |
| SMILES | O=CC1=CC=C(O1)C=O |
| Synonym | 2,5-Furandicarboxaldehyde |
| IUPAC Name | furan-2,5-dicarbaldehyde |
| InChI Key | PXJJKVNIMAZHCB-UHFFFAOYSA-N |
| Molecular Formula | C6H4O3 |
Isovaleraldehyde 98.0+%, TCI America™
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CAS: 590-86-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007014 InChI Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N Synonym: isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde PubChem CID: 11552 ChEBI: CHEBI:16638 IUPAC Name: 3-methylbutanal SMILES: CC(C)CC=O
| PubChem CID | 11552 |
|---|---|
| CAS | 590-86-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16638 |
| MDL Number | MFCD00007014 |
| SMILES | CC(C)CC=O |
| Synonym | isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde |
| IUPAC Name | 3-methylbutanal |
| InChI Key | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2',6'-Dihydroxyacetophenone 97.0+%, TCI America™
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CAS: 699-83-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002270 InChI Key: YPTJKHVBDCRKNF-UHFFFAOYSA-N Synonym: 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 PubChem CID: 69687 IUPAC Name: 1-(2,6-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1O)O
| PubChem CID | 69687 |
|---|---|
| CAS | 699-83-2 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002270 |
| SMILES | CC(=O)C1=C(C=CC=C1O)O |
| Synonym | 2',6'-dihydroxyacetophenone,1-2,6-dihydroxyphenyl ethanone,2,6-dihydroxyacetophenone,2-acetylresorcinol,resorcinol, 2-acetyl,1-2,6-dihydroxyphenyl ethan-1-one,2,6-dihydroxy acetophenone,gamma-resacetophenone,ethanone, 1-2,6-dihydroxyphenyl,unii-88bo51g3y2 |
| IUPAC Name | 1-(2,6-dihydroxyphenyl)ethanone |
| InChI Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Bromophenacyl Bromide 98.0+%, TCI America™
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CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br
| PubChem CID | 7454 |
|---|---|
| CAS | 99-73-0 |
| Molecular Weight (g/mol) | 277.943 |
| MDL Number | MFCD00000200 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Br |
| Synonym | 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene |
| IUPAC Name | 2-bromo-1-(4-bromophenyl)ethanone |
| InChI Key | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O |
Butyraldehyde 98.0+%, TCI America™
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CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O
| PubChem CID | 261 |
|---|---|
| CAS | 123-72-8 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:15743 |
| MDL Number | MFCD00007023 |
| SMILES | CCCC=O |
| Synonym | butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal |
| IUPAC Name | butanal |
| InChI Key | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Terephthalaldehydic Acid 98.0+%, TCI America™
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CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
| PubChem CID | 12088 |
|---|---|
| CAS | 619-66-9 |
| Molecular Weight (g/mol) | 150.133 |
| MDL Number | MFCD00006951 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
| IUPAC Name | 4-formylbenzoic acid |
| InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
Diethyl Ethylmalonate 98.0+%, TCI America™
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CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 8610 |
|---|---|
| CAS | 133-13-1 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009167 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate |
| IUPAC Name | diethyl 2-ethylpropanedioate |
| InChI Key | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione 97.0+%, TCI America™
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CAS: 17587-22-3 Molecular Formula: C10H11F7O2 Molecular Weight (g/mol): 296.185 MDL Number: MFCD00000435 InChI Key: SQNZLBOJCWQLGQ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione,3,5-octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione,hfod,acmc-209eam,fod-h PubChem CID: 28614 IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione SMILES: CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
| PubChem CID | 28614 |
|---|---|
| CAS | 17587-22-3 |
| Molecular Weight (g/mol) | 296.185 |
| MDL Number | MFCD00000435 |
| SMILES | CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Synonym | 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione,3,5-octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadione,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione,1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione,hfod,acmc-209eam,fod-h |
| IUPAC Name | 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione |
| InChI Key | SQNZLBOJCWQLGQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11F7O2 |
5-Fluorosalicylaldehyde 98.0+%, TCI America™
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CAS: 347-54-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD01090997 InChI Key: FDUBQNUDZOGOFE-UHFFFAOYSA-N Synonym: 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 PubChem CID: 2737328 IUPAC Name: 5-fluoro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)O
| PubChem CID | 2737328 |
|---|---|
| CAS | 347-54-6 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD01090997 |
| SMILES | C1=CC(=C(C=C1F)C=O)O |
| Synonym | 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 |
| IUPAC Name | 5-fluoro-2-hydroxybenzaldehyde |
| InChI Key | FDUBQNUDZOGOFE-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
Glyoxylic Acid (ca. 50% in Water, ca. 9mol/L), TCI America™
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CAS: 298-12-4 Molecular Formula: C2H2O3 Molecular Weight (g/mol): 74.035 MDL Number: MFCD00006958 InChI Key: HHLFWLYXYJOTON-UHFFFAOYSA-N Synonym: glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid PubChem CID: 760 ChEBI: CHEBI:16891 IUPAC Name: oxaldehydic acid SMILES: C(=O)C(=O)O
| PubChem CID | 760 |
|---|---|
| CAS | 298-12-4 |
| Molecular Weight (g/mol) | 74.035 |
| ChEBI | CHEBI:16891 |
| MDL Number | MFCD00006958 |
| SMILES | C(=O)C(=O)O |
| Synonym | glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid |
| IUPAC Name | oxaldehydic acid |
| InChI Key | HHLFWLYXYJOTON-UHFFFAOYSA-N |
| Molecular Formula | C2H2O3 |
4'-Ethylacetophenone 97.0+%, TCI America™
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CAS: 937-30-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009262 InChI Key: NODGRWCMFMEGJH-UHFFFAOYSA-N Synonym: 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one PubChem CID: 13642 IUPAC Name: 1-(4-ethylphenyl)ethanone SMILES: CCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 13642 |
|---|---|
| CAS | 937-30-4 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00009262 |
| SMILES | CCC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one |
| IUPAC Name | 1-(4-ethylphenyl)ethanone |
| InChI Key | NODGRWCMFMEGJH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Acetoin (May exist as crystalline dimer) 98.0+%, TCI America™
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CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
| PubChem CID | 179 |
|---|---|
| CAS | 513-86-0 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00004521,MFCD00038696 |
| SMILES | CC(O)C(C)=O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | ROWKJAVDOGWPAT-UHFFFAOYNA-N |
| Molecular Formula | C4H8O2 |
Ethyl 4-Chloroacetoacetate 95.0+%, TCI America™
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CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
| PubChem CID | 69484 |
|---|---|
| CAS | 638-07-3 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00000939 |
| SMILES | CCOC(=O)CC(=O)CCl |
| Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
| IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
| InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |