Organooxygen compounds
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2'-Hydroxy-4',6'-dimethoxyacetophenone, 98%
CAS: 90-24-4 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017243 InChI Key: FBUBVLUPUDBFME-UHFFFAOYSA-N Synonym: xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one PubChem CID: 66654 ChEBI: CHEBI:10070 IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone SMILES: COC1=CC(O)=C(C(C)=O)C(OC)=C1
| PubChem CID | 66654 |
|---|---|
| CAS | 90-24-4 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:10070 |
| MDL Number | MFCD00017243 |
| SMILES | COC1=CC(O)=C(C(C)=O)C(OC)=C1 |
| Synonym | xanthoxylin,2'-hydroxy-4',6'-dimethoxyacetophenone,brevifolin,xanthoxyline,2-hydroxy-4,6-dimethoxyacetophenone,1-2-hydroxy-4,6-dimethoxyphenyl ethanone,brevifolin zanthoxylum,phloracetophenone dimethyl ether,brevifolin van,1-2-hydroxy-4,6-dimethoxyphenyl ethan-1-one |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone |
| InChI Key | FBUBVLUPUDBFME-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
3-(Bromoacetyl)pyridine hydrobromide, 98%
CAS: 17694-68-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.95 MDL Number: MFCD00052182 InChI Key: WDTSYONULAZKIE-UHFFFAOYSA-N Synonym: 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide PubChem CID: 2776234 IUPAC Name: 2-bromo-1-pyridin-3-ylethanone;hydrobromide SMILES: [H+].[Br-].BrCC(=O)C1=CC=CN=C1
| PubChem CID | 2776234 |
|---|---|
| CAS | 17694-68-7 |
| Molecular Weight (g/mol) | 280.95 |
| MDL Number | MFCD00052182 |
| SMILES | [H+].[Br-].BrCC(=O)C1=CC=CN=C1 |
| Synonym | 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide |
| IUPAC Name | 2-bromo-1-pyridin-3-ylethanone;hydrobromide |
| InChI Key | WDTSYONULAZKIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2NO |
2-Chloroacetophenone, 98%, Thermo Scientific Chemicals
CAS: 532-27-4 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000933 InChI Key: IMACFCSSMIZSPP-UHFFFAOYSA-N Synonym: 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone PubChem CID: 10757 IUPAC Name: 2-chloro-1-phenylethan-1-one SMILES: ClCC(=O)C1=CC=CC=C1
| PubChem CID | 10757 |
|---|---|
| CAS | 532-27-4 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000933 |
| SMILES | ClCC(=O)C1=CC=CC=C1 |
| Synonym | 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone |
| IUPAC Name | 2-chloro-1-phenylethan-1-one |
| InChI Key | IMACFCSSMIZSPP-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
4'-Methoxyacetophenone, 98%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Isobutyrophenone, 97%
CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1
| PubChem CID | 69144 |
|---|---|
| CAS | 611-70-1 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00008917 |
| SMILES | CC(C)C(=O)C1=CC=CC=C1 |
| Synonym | isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone |
| IUPAC Name | 2-methyl-1-phenylpropan-1-one |
| InChI Key | BSMGLVDZZMBWQB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-Chromanone, 96%
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2',4',6'-Trimethylacetophenone, 97+%
CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethanone SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethanone |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
2,3-Butanedione, 99%
CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C
| PubChem CID | 650 |
|---|---|
| CAS | 431-03-8 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16583 |
| MDL Number | MFCD00008756 |
| SMILES | CC(=O)C(=O)C |
| Synonym | 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane |
| IUPAC Name | butane-2,3-dione |
| InChI Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Ethyl benzoylacetate, 90+%
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
2',4',6'-Trihydroxyacetophenone, 98%
CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O
| PubChem CID | 68073 |
|---|---|
| CAS | 480-66-0 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:64344 |
| MDL Number | MFCD00002287 |
| SMILES | CC(=O)C1=C(O)C=C(O)C=C1O |
| Synonym | 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)ethanone |
| InChI Key | XLEYFDVVXLMULC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone, 97%, Thermo Scientific™
CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1
| PubChem CID | 7060546 |
|---|---|
| CAS | 1131-87-9 |
| Molecular Weight (g/mol) | 255.13 |
| MDL Number | MFCD07368508 |
| SMILES | BrCC(=O)C1=CC=C2SC=CC2=C1 |
| Synonym | 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one |
| IUPAC Name | 1-(1-benzothiophen-5-yl)-2-bromoethanone |
| InChI Key | NTQPGUCRHJHYIA-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrOS |
2'-Bromoacetophenone, 99%
CAS: 2142-69-0 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000067 InChI Key: PIMNFNXBTGPCIL-UHFFFAOYSA-N Synonym: 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone PubChem CID: 75060 IUPAC Name: 1-(2-bromophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Br
| PubChem CID | 75060 |
|---|---|
| CAS | 2142-69-0 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00000067 |
| SMILES | CC(=O)C1=CC=CC=C1Br |
| Synonym | 2'-bromoacetophenone,1-2-bromophenyl ethanone,o-bromoacetophenone,ethanone, 1-2-bromophenyl,1-acetyl-2-bromobenzene,1-2-bromophenyl ethan-1-one,acetophenone, 2'-bromo,1-2-bromomphenyl ethanone,acetophenone, o-bromo,o-bromophenyl methyl ketone |
| IUPAC Name | 1-(2-bromophenyl)ethanone |
| InChI Key | PIMNFNXBTGPCIL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
1,8-Dichloroanthraquinone, MP Biomedicals
CAS: 82-43-9 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.1 InChI Key: VBQNYYXVDQUKIU-UHFFFAOYSA-N Synonym: 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro PubChem CID: 6708 IUPAC Name: 1,8-dichloroanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl
| PubChem CID | 6708 |
|---|---|
| CAS | 82-43-9 |
| Molecular Weight (g/mol) | 277.1 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl |
| Synonym | 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro |
| IUPAC Name | 1,8-dichloroanthracene-9,10-dione |
| InChI Key | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| Molecular Formula | C14H6Cl2O2 |
2',3'-Difluoroacetophenone, 97%
CAS: 18355-80-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00061274 InChI Key: PQUXFUBNSYCQAL-UHFFFAOYSA-N Synonym: 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone PubChem CID: 519550 SMILES: CC(=O)C1=CC=CC(F)=C1F
| PubChem CID | 519550 |
|---|---|
| CAS | 18355-80-1 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00061274 |
| SMILES | CC(=O)C1=CC=CC(F)=C1F |
| Synonym | 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone |
| InChI Key | PQUXFUBNSYCQAL-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
2-Hydroxyacetophenone, 97+%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |