Organooxygen compounds
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MilliporeSigma™ JC-1, Calbiochem™,
CAS: 47729-63-5 Molecular Formula: C25H27Cl4IN4 Molecular Weight (g/mol): 652.223 InChI Key: FYNNIUVBDKICAX-UHFFFAOYSA-M Synonym: jc-1,jc1 dye,jc-1 jodide,cbic2 3,5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide,1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine iodide,bis 5,6-dichloro-1,3-diethyl-2-benzimidazole trimethinecyanine iodide,1,1',3,3'-tetraethyl-5,5',6,6'-tetrachlorobenzimidazolocarbocyanine iodide,5,6-dichloro-2-3-5,6-dichloro-1,3-diethyl-2-benzimidazolinylidene propenyl-1,3-diethylbenzimidazolium iodide,cbic2 PubChem CID: 5492929 ChEBI: CHEBI:52097 IUPAC Name: 5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole;iodide SMILES: CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl.[I-]
| PubChem CID | 5492929 |
|---|---|
| CAS | 47729-63-5 |
| Molecular Weight (g/mol) | 652.223 |
| ChEBI | CHEBI:52097 |
| SMILES | CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl.[I-] |
| Synonym | jc-1,jc1 dye,jc-1 jodide,cbic2 3,5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide,1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine iodide,bis 5,6-dichloro-1,3-diethyl-2-benzimidazole trimethinecyanine iodide,1,1',3,3'-tetraethyl-5,5',6,6'-tetrachlorobenzimidazolocarbocyanine iodide,5,6-dichloro-2-3-5,6-dichloro-1,3-diethyl-2-benzimidazolinylidene propenyl-1,3-diethylbenzimidazolium iodide,cbic2 |
| IUPAC Name | 5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole;iodide |
| InChI Key | FYNNIUVBDKICAX-UHFFFAOYSA-M |
| Molecular Formula | C25H27Cl4IN4 |
4,5-Difluorosalicylaldehyde, 98%
CAS: 199287-52-0 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD08458005 InChI Key: HRLWPXGNZQEUHM-UHFFFAOYSA-N Synonym: 2-hydroxy-4,5-difluorobenzaldehyde,4,5-difluorosalicylaldehyde,4,5-difluorosalicylaldehdye,benzaldehyde, 4,5-difluoro-2-hydroxy,benzaldehyde, 4,5-difluoro-2-hydroxy-9ci,pubchem11007,4,5-difluoro-2-hydroxy-benzaldehyde,4,5-bis fluoranyl-2-oxidanyl-benzaldehyde PubChem CID: 15434553 IUPAC Name: 4,5-difluoro-2-hydroxybenzaldehyde SMILES: OC1=CC(F)=C(F)C=C1C=O
| PubChem CID | 15434553 |
|---|---|
| CAS | 199287-52-0 |
| Molecular Weight (g/mol) | 158.10 |
| MDL Number | MFCD08458005 |
| SMILES | OC1=CC(F)=C(F)C=C1C=O |
| Synonym | 2-hydroxy-4,5-difluorobenzaldehyde,4,5-difluorosalicylaldehyde,4,5-difluorosalicylaldehdye,benzaldehyde, 4,5-difluoro-2-hydroxy,benzaldehyde, 4,5-difluoro-2-hydroxy-9ci,pubchem11007,4,5-difluoro-2-hydroxy-benzaldehyde,4,5-bis fluoranyl-2-oxidanyl-benzaldehyde |
| IUPAC Name | 4,5-difluoro-2-hydroxybenzaldehyde |
| InChI Key | HRLWPXGNZQEUHM-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
2',5'-Dihydroxyacetophenone, 97%
CAS: 490-78-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002343 InChI Key: WLDWSGZHNBANIO-UHFFFAOYSA-N Synonym: 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy PubChem CID: 10279 IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)O)O
| PubChem CID | 10279 |
|---|---|
| CAS | 490-78-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002343 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)O |
| Synonym | 2',5'-dihydroxyacetophenone,1-2,5-dihydroxyphenyl ethanone,2-acetylhydroquinone,2,5-dihydroxyacetophenone,quinacetophenone,acetylhydroquinone,ethanone, 1-2,5-dihydroxyphenyl,1-2,5-dihydroxyphenyl ethan-1-one,acetylquinol,acetophenone, 2',5'-dihydroxy |
| IUPAC Name | 1-(2,5-dihydroxyphenyl)ethanone |
| InChI Key | WLDWSGZHNBANIO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Bromomalonaldehyde, 97%
CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.959 MDL Number: MFCD00459999 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br
| PubChem CID | 74945 |
|---|---|
| CAS | 2065-75-0 |
| Molecular Weight (g/mol) | 150.959 |
| MDL Number | MFCD00459999 |
| SMILES | C(=O)C(C=O)Br |
| Synonym | 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde |
| IUPAC Name | 2-bromopropanedial |
| InChI Key | SURMYNZXHKLDFO-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
2-n-Propyl-1-pentanol, 97%
CAS: 58175-57-8 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00010260 InChI Key: LASHFHLFDRTERB-UHFFFAOYSA-N Synonym: 2-propyl-1-pentanol,1-pentanol, 2-propyl,2-propylpentanol,2-n-propyl-1-pentanol,acmc-1azt3,2-propyl-1-hydroxypentane PubChem CID: 123543 IUPAC Name: 2-propylpentan-1-ol SMILES: CCCC(CCC)CO
| PubChem CID | 123543 |
|---|---|
| CAS | 58175-57-8 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00010260 |
| SMILES | CCCC(CCC)CO |
| Synonym | 2-propyl-1-pentanol,1-pentanol, 2-propyl,2-propylpentanol,2-n-propyl-1-pentanol,acmc-1azt3,2-propyl-1-hydroxypentane |
| IUPAC Name | 2-propylpentan-1-ol |
| InChI Key | LASHFHLFDRTERB-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
5-Methylisatin, 95%
CAS: 608-05-9 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005721 InChI Key: VAJCSPZKMVQIAP-UHFFFAOYSA-N Synonym: 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione PubChem CID: 11840 IUPAC Name: 5-methyl-1H-indole-2,3-dione SMILES: CC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 11840 |
|---|---|
| CAS | 608-05-9 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005721 |
| SMILES | CC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione |
| IUPAC Name | 5-methyl-1H-indole-2,3-dione |
| InChI Key | VAJCSPZKMVQIAP-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 90%, Thermo Scientific™
CAS: 876316-27-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD09025865 InChI Key: AEMXYVCSLPLJOW-UHFFFAOYSA-N Synonym: 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl PubChem CID: 18525855 IUPAC Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)C=O
| PubChem CID | 18525855 |
|---|---|
| CAS | 876316-27-7 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD09025865 |
| SMILES | CC1=NOC(=N1)C2=CC=C(C=C2)C=O |
| Synonym | 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl |
| IUPAC Name | 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
| InChI Key | AEMXYVCSLPLJOW-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
2'-Bromo-4'-fluoroacetophenone, 98%
CAS: 1006-39-9 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00077464 InChI Key: RCXFSBRMWBFWMH-UHFFFAOYSA-N Synonym: 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 PubChem CID: 2736304 IUPAC Name: 1-(2-bromo-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(Br)C=C(F)C=C1
| PubChem CID | 2736304 |
|---|---|
| CAS | 1006-39-9 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00077464 |
| SMILES | CC(=O)C1=C(Br)C=C(F)C=C1 |
| Synonym | 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)ethanone |
| InChI Key | RCXFSBRMWBFWMH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
2,6-Dichlorobenzaldehyde, 97+%
CAS: 83-38-5 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003307 InChI Key: DMIYKWPEFRFTPY-UHFFFAOYSA-N Synonym: benzaldehyde, 2,6-dichloro,ccris 6014,2,6-dichloro benzaldehyde,2,6-dichloro-benzaldehyde,2,6-dichloro-benzaldehyd,2,6-dichlorbenzaldehyd,pubchem8225,acmc-1bkey,2,6dichloro-benzaldehyde,benzaldehyde,6-dichloro PubChem CID: 6737 IUPAC Name: 2,6-dichlorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Cl)C=O)Cl
| PubChem CID | 6737 |
|---|---|
| CAS | 83-38-5 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003307 |
| SMILES | C1=CC(=C(C(=C1)Cl)C=O)Cl |
| Synonym | benzaldehyde, 2,6-dichloro,ccris 6014,2,6-dichloro benzaldehyde,2,6-dichloro-benzaldehyde,2,6-dichloro-benzaldehyd,2,6-dichlorbenzaldehyd,pubchem8225,acmc-1bkey,2,6dichloro-benzaldehyde,benzaldehyde,6-dichloro |
| IUPAC Name | 2,6-dichlorobenzaldehyde |
| InChI Key | DMIYKWPEFRFTPY-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 97%, Thermo Scientific Chemicals
CAS: 1620-98-0 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
| PubChem CID | 73219 |
|---|---|
| CAS | 1620-98-0 |
| MDL Number | MFCD00008826 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde |
| IUPAC Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| InChI Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
4-Acetylbenzenesulfonyl chloride, 97%
CAS: 1788-10-9 Molecular Formula: C8H7ClO3S Molecular Weight (g/mol): 218.65 MDL Number: MFCD00800269 InChI Key: FXVDNCRTKXMSEZ-UHFFFAOYSA-N Synonym: 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride PubChem CID: 266418 IUPAC Name: 4-acetylbenzenesulfonyl chloride SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
| PubChem CID | 266418 |
|---|---|
| CAS | 1788-10-9 |
| Molecular Weight (g/mol) | 218.65 |
| MDL Number | MFCD00800269 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
| Synonym | 4-acetylbenzene-1-sulfonyl chloride,4-acetyl-benzenesulfonyl chloride,4-acetylphenylsulfonyl chloride,benzenesulfonylchloride, 4-acetyl,benzenesulfonyl chloride, 4-acetyl,1-acetyl-4-chlorosulfonyl benzene,4-acetylbenzenesulfonyl chloride,acmc-1bs75,ksc183k3b,4-acetylbenzenesulfonylchloride |
| IUPAC Name | 4-acetylbenzenesulfonyl chloride |
| InChI Key | FXVDNCRTKXMSEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3S |
10-Bromo-1-decanol, 95%
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr
| PubChem CID | 104507 |
|---|---|
| CAS | 53463-68-6 |
| Molecular Weight (g/mol) | 237.18 |
| MDL Number | MFCD00041681 |
| SMILES | OCCCCCCCCCCBr |
| Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
| IUPAC Name | 10-bromodecan-1-ol |
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
| Molecular Formula | C10H21BrO |
Methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate, 95%, Thermo Scientific™
CAS: 175276-49-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD00203864 InChI Key: NEDLMVCFWFSFNJ-UHFFFAOYSA-N Synonym: methyl 4-formyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-formyl-1,2,5-trimethyl-, methyl ester,1h-pyrrole-3-carboxylicacid,4-formyl-1,2,5-trimethyl-,methyl ester PubChem CID: 2776538 IUPAC Name: methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate SMILES: CC1=C(C(=C(N1C)C)C(=O)OC)C=O
| PubChem CID | 2776538 |
|---|---|
| CAS | 175276-49-0 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD00203864 |
| SMILES | CC1=C(C(=C(N1C)C)C(=O)OC)C=O |
| Synonym | methyl 4-formyl-1,2,5-trimethyl-1h-pyrrole-3-carboxylate,1h-pyrrole-3-carboxylicacid, 4-formyl-1,2,5-trimethyl-, methyl ester,1h-pyrrole-3-carboxylicacid,4-formyl-1,2,5-trimethyl-,methyl ester |
| IUPAC Name | methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate |
| InChI Key | NEDLMVCFWFSFNJ-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
4-Allyl-1,6-heptadien-4-ol, 99%
CAS: 10202-75-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00039829 InChI Key: SUXQWOWVXDXQSE-UHFFFAOYSA-N Synonym: 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl PubChem CID: 139107 IUPAC Name: 4-prop-2-enylhepta-1,6-dien-4-ol SMILES: C=CCC(CC=C)(CC=C)O
| PubChem CID | 139107 |
|---|---|
| CAS | 10202-75-2 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00039829 |
| SMILES | C=CCC(CC=C)(CC=C)O |
| Synonym | 4-allyl-1,6-heptadien-4-ol,triallylcarbinol,4-allylhepta-1,6-dien-4-ol,4-allyl-1,6-heptadiene-4-ol,1,6-heptadien-4-ol, 4-2-propenyl,4-prop-2-en-1-yl hepta-1,6-dien-4-ol,triallyl carbinol,acmc-1byg9,4-allyl-hepta-1,6-dien-4-ol,1,6-heptadien-4-ol,4-2-propen-1-yl |
| IUPAC Name | 4-prop-2-enylhepta-1,6-dien-4-ol |
| InChI Key | SUXQWOWVXDXQSE-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |