Organooxygen compounds
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3'-Hydroxyacetophenone, 98%
CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O
| PubChem CID | 8487 |
|---|---|
| CAS | 121-71-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002298 |
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
| IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
| InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
5-Chloroisatin, 98%
CAS: 17630-76-1 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.58 MDL Number: MFCD00014567 InChI Key: XHDJYQWGFIBCEP-UHFFFAOYSA-N Synonym: 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607 PubChem CID: 87203 SMILES: ClC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 87203 |
|---|---|
| CAS | 17630-76-1 |
| Molecular Weight (g/mol) | 181.58 |
| MDL Number | MFCD00014567 |
| SMILES | ClC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607 |
| InChI Key | XHDJYQWGFIBCEP-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO2 |
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)cobalt(II), 99.9% (metals basis)
CAS: 13986-53-3 Molecular Formula: C22H38CoO4 Molecular Weight (g/mol): 425.48 MDL Number: MFCD00233616 InChI Key: KLJJOSZRALJWDS-UHFFFAOYSA-N Synonym: bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate PubChem CID: 57369563 IUPAC Name: cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate SMILES: [Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
| PubChem CID | 57369563 |
|---|---|
| CAS | 13986-53-3 |
| Molecular Weight (g/mol) | 425.48 |
| MDL Number | MFCD00233616 |
| SMILES | [Co++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C |
| Synonym | bis 2,2,6,6-tetramethyl-3,5-heptanedionato cobalt ii,cobalt 2+ bis 2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| IUPAC Name | cobalt(2+);2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| InChI Key | KLJJOSZRALJWDS-UHFFFAOYSA-N |
| Molecular Formula | C22H38CoO4 |
Tellurium(IV) ethoxide, tech. 85%, remainder ethanol
CAS: 2017-01-8 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00270937 InChI Key: RWIVICVCHVMHMU-UHFFFAOYSA-N PubChem CID: 408285 IUPAC Name: 2-morpholin-4-ylethanamine SMILES: C1COCCN1CCN
| PubChem CID | 408285 |
|---|---|
| CAS | 2017-01-8 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00270937 |
| SMILES | C1COCCN1CCN |
| IUPAC Name | 2-morpholin-4-ylethanamine |
| InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O |
Ethyl 2-cyanoacetoacetate
CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O
| PubChem CID | 136455 |
|---|---|
| CAS | 634-55-9 |
| Molecular Weight (g/mol) | 155.15 |
| ChEBI | CHEBI:51924 |
| MDL Number | MFCD00043487 |
| SMILES | CCOC(=O)C(C#N)C(C)=O |
| Synonym | ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 |
| IUPAC Name | ethyl 2-cyano-3-oxobutanoate |
| InChI Key | NWOKVFOTWMZMHL-UHFFFAOYNA-N |
| Molecular Formula | C7H9NO3 |
2-Propionylpyrrole, 99%
CAS: 1073-26-3 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD01696449 InChI Key: AEJPPSRYXGEVDT-UHFFFAOYSA-N Synonym: 2-propionylpyrrole,1-1h-pyrrol-2-yl propan-1-one,2-pyrryl ethyl ketone,ethyl 2-pyrrolyl ketone,alpha-propionylpyrrole,1-2-pyrrolyl-1-propanone,alpha-pyrryl ethyl ketone,1-propanone, 1-pyrrol-2-yl,1-1h-pyrrol-2-yl-1-propanone,unii-hgs11xf57f PubChem CID: 61260 IUPAC Name: 1-(1H-pyrrol-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=CN1
| PubChem CID | 61260 |
|---|---|
| CAS | 1073-26-3 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD01696449 |
| SMILES | CCC(=O)C1=CC=CN1 |
| Synonym | 2-propionylpyrrole,1-1h-pyrrol-2-yl propan-1-one,2-pyrryl ethyl ketone,ethyl 2-pyrrolyl ketone,alpha-propionylpyrrole,1-2-pyrrolyl-1-propanone,alpha-pyrryl ethyl ketone,1-propanone, 1-pyrrol-2-yl,1-1h-pyrrol-2-yl-1-propanone,unii-hgs11xf57f |
| IUPAC Name | 1-(1H-pyrrol-2-yl)propan-1-one |
| InChI Key | AEJPPSRYXGEVDT-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
5-Bromo-1-indanone, 97+%
CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
| PubChem CID | 520695 |
|---|---|
| CAS | 34598-49-7 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00082718 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)Br |
| Synonym | 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane |
| IUPAC Name | 5-bromo-2,3-dihydroinden-1-one |
| InChI Key | KSONICAHAPRCMV-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
5-Benzyloxyindole, 94%, may contain up to ca 7% toluene
CAS: 1215-59-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00005676 InChI Key: JCQLPDZCNSVBMS-UHFFFAOYSA-N Synonym: 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c PubChem CID: 14624 IUPAC Name: 5-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
| PubChem CID | 14624 |
|---|---|
| CAS | 1215-59-4 |
| Molecular Weight (g/mol) | 223.275 |
| MDL Number | MFCD00005676 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3 |
| Synonym | 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c |
| IUPAC Name | 5-phenylmethoxy-1H-indole |
| InChI Key | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
2-Naphthaldehyde, 98%
CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.184 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O
| PubChem CID | 6201 |
|---|---|
| CAS | 66-99-9 |
| Molecular Weight (g/mol) | 156.184 |
| ChEBI | CHEBI:52368 |
| MDL Number | MFCD00004094 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
| Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
| IUPAC Name | naphthalene-2-carbaldehyde |
| InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
5-(Trifluoromethyl)pyridine-2-carboxaldehyde, 95%
CAS: 31224-82-5 Molecular Formula: C7H4F3NO Molecular Weight (g/mol): 175.11 MDL Number: MFCD07375388 InChI Key: JJDDVGAESNBKMY-UHFFFAOYSA-N Synonym: 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl PubChem CID: 14422792 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbaldehyde SMILES: C1=CC(=NC=C1C(F)(F)F)C=O
| PubChem CID | 14422792 |
|---|---|
| CAS | 31224-82-5 |
| Molecular Weight (g/mol) | 175.11 |
| MDL Number | MFCD07375388 |
| SMILES | C1=CC(=NC=C1C(F)(F)F)C=O |
| Synonym | 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl |
| IUPAC Name | 5-(trifluoromethyl)pyridine-2-carbaldehyde |
| InChI Key | JJDDVGAESNBKMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO |
4-(Trifluoromethyl)cyclohexanol, 97%
CAS: 30129-18-1 Molecular Formula: C7H11F3O Molecular Weight (g/mol): 168.159 MDL Number: MFCD00102144 InChI Key: VJUJYNJEPPWWHS-UHFFFAOYSA-N Synonym: 4-trifluoromethyl cyclohexanol,trans-4-trifluoromethyl cyclohexanol,4-trifluoromethyl cyclohexan-1-ol,4-trifluoromethylcyclohexanol,1r,4r-4-trifluoromethyl cyclohexanol,4-trifluoromethyl-cyclohexanol,4-trifluoromethyl cyclohexanol, cis/trans,cyclohexanol, 4-trifluoromethyl,cyclohexanol, 4-trifluoromethyl-, cis,cyclohexanol,4-trifluoromethyl-, trans PubChem CID: 2779765 IUPAC Name: 4-(trifluoromethyl)cyclohexan-1-ol SMILES: C1CC(CCC1C(F)(F)F)O
| PubChem CID | 2779765 |
|---|---|
| CAS | 30129-18-1 |
| Molecular Weight (g/mol) | 168.159 |
| MDL Number | MFCD00102144 |
| SMILES | C1CC(CCC1C(F)(F)F)O |
| Synonym | 4-trifluoromethyl cyclohexanol,trans-4-trifluoromethyl cyclohexanol,4-trifluoromethyl cyclohexan-1-ol,4-trifluoromethylcyclohexanol,1r,4r-4-trifluoromethyl cyclohexanol,4-trifluoromethyl-cyclohexanol,4-trifluoromethyl cyclohexanol, cis/trans,cyclohexanol, 4-trifluoromethyl,cyclohexanol, 4-trifluoromethyl-, cis,cyclohexanol,4-trifluoromethyl-, trans |
| IUPAC Name | 4-(trifluoromethyl)cyclohexan-1-ol |
| InChI Key | VJUJYNJEPPWWHS-UHFFFAOYSA-N |
| Molecular Formula | C7H11F3O |
3,4,6-Tri-O-methyl-D-glucal, 97%
CAS: 16740-98-0 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD22989010 InChI Key: PZJPNKKRMNFDQJ-UHFFFAOYNA-N Synonym: tri-o-methyl-d-glucal,3,4,6-tri-o-methyl-d-glucal,tri-o-methyl glucal,2r,3s,4r-3,4-dimethoxy-2-methoxymethyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-trimethyl-1,2-dideoxy-d-arabino-1-hexenopyranose PubChem CID: 11252452 SMILES: COCC1OC=CC(OC)C1OC
| PubChem CID | 11252452 |
|---|---|
| CAS | 16740-98-0 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD22989010 |
| SMILES | COCC1OC=CC(OC)C1OC |
| Synonym | tri-o-methyl-d-glucal,3,4,6-tri-o-methyl-d-glucal,tri-o-methyl glucal,2r,3s,4r-3,4-dimethoxy-2-methoxymethyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-trimethyl-1,2-dideoxy-d-arabino-1-hexenopyranose |
| InChI Key | PZJPNKKRMNFDQJ-UHFFFAOYNA-N |
| Molecular Formula | C9H16O4 |
3-Fluoro-2-methoxy-6-methylpyridine, 97%, Thermo Scientific Chemicals
CAS: 375368-80-2 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD03095083 InChI Key: DAQMWRIPXIPMAA-UHFFFAOYSA-N Synonym: 3-fluoro-2-methoxy-6-picoline,2-methoxy-3-fluoro-6-methylpyridine,3-fluoro-2-methoxy-6-methyl-pyridine,pubchem6585,ksc914i9l,abbypharma ap-15-5217,pyridine, 3-fluoro-2-methoxy-6-methyl,pyridine, 3-fluoro-2-methoxy-6-methyl-9ci PubChem CID: 24820319 IUPAC Name: 3-fluoro-2-methoxy-6-methylpyridine SMILES: COC1=C(F)C=CC(C)=N1
| PubChem CID | 24820319 |
|---|---|
| CAS | 375368-80-2 |
| Molecular Weight (g/mol) | 141.15 |
| MDL Number | MFCD03095083 |
| SMILES | COC1=C(F)C=CC(C)=N1 |
| Synonym | 3-fluoro-2-methoxy-6-picoline,2-methoxy-3-fluoro-6-methylpyridine,3-fluoro-2-methoxy-6-methyl-pyridine,pubchem6585,ksc914i9l,abbypharma ap-15-5217,pyridine, 3-fluoro-2-methoxy-6-methyl,pyridine, 3-fluoro-2-methoxy-6-methyl-9ci |
| IUPAC Name | 3-fluoro-2-methoxy-6-methylpyridine |
| InChI Key | DAQMWRIPXIPMAA-UHFFFAOYSA-N |
| Molecular Formula | C7H8FNO |
Bis(2-bromoethyl) ether, 95%
CAS: 5414-19-7 Molecular Formula: C4H8Br2O Molecular Weight (g/mol): 231.915 MDL Number: MFCD00039196 InChI Key: FOZVXADQAHVUSV-UHFFFAOYSA-N Synonym: bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether PubChem CID: 21521 IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane SMILES: C(CBr)OCCBr
| PubChem CID | 21521 |
|---|---|
| CAS | 5414-19-7 |
| Molecular Weight (g/mol) | 231.915 |
| MDL Number | MFCD00039196 |
| SMILES | C(CBr)OCCBr |
| Synonym | bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether |
| IUPAC Name | 1-bromo-2-(2-bromoethoxy)ethane |
| InChI Key | FOZVXADQAHVUSV-UHFFFAOYSA-N |
| Molecular Formula | C4H8Br2O |
(S)-(+)-2,3-O-Isopropylideneglycerol, 98%
CAS: 22323-82-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00063239 InChI Key: RNVYQYLELCKWAN-UHFFFAOYNA-N Synonym: s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol PubChem CID: 736057 IUPAC Name: [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(C)OCC(CO)O1
| PubChem CID | 736057 |
|---|---|
| CAS | 22323-82-6 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00063239 |
| SMILES | CC1(C)OCC(CO)O1 |
| Synonym | s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol |
| IUPAC Name | [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |