Benzenoids
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3-Nitrobenzyl bromide, 98+%
CAS: 3958-57-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007271 InChI Key: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonym: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro PubChem CID: 77568 IUPAC Name: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr
| PubChem CID | 77568 |
|---|---|
| CAS | 3958-57-4 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD00007271 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CBr |
| Synonym | 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro |
| IUPAC Name | 1-(bromomethyl)-3-nitrobenzene |
| InChI Key | LNWXALCHPJANMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
2-Chlorophenylhydrazine hydrochloride, 97%
CAS: 41052-75-9 Molecular Formula: C6H8Cl2N2 Molecular Weight (g/mol): 179.04 MDL Number: MFCD00012928 InChI Key: ADODRSVGNHNKAT-UHFFFAOYSA-N Synonym: 2-chlorophenylhydrazine hydrochloride,2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hydrochloride,1-2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hcl,2-chloro phenyl hydrazine hydrochloride,2-chlorophenylhydrazine, chloride,hydrazine, 2-chlorophenyl-, monohydrochloride,2-chlorophenylhydrazinehydrochloride PubChem CID: 443287 ChEBI: CHEBI:1046 IUPAC Name: (2-chlorophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1Cl
| PubChem CID | 443287 |
|---|---|
| CAS | 41052-75-9 |
| Molecular Weight (g/mol) | 179.04 |
| ChEBI | CHEBI:1046 |
| MDL Number | MFCD00012928 |
| SMILES | [H+].[Cl-].NNC1=CC=CC=C1Cl |
| Synonym | 2-chlorophenylhydrazine hydrochloride,2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hydrochloride,1-2-chlorophenyl hydrazine hydrochloride,o-chlorophenylhydrazine hcl,2-chloro phenyl hydrazine hydrochloride,2-chlorophenylhydrazine, chloride,hydrazine, 2-chlorophenyl-, monohydrochloride,2-chlorophenylhydrazinehydrochloride |
| IUPAC Name | (2-chlorophenyl)hydrazine;hydrochloride |
| InChI Key | ADODRSVGNHNKAT-UHFFFAOYSA-N |
| Molecular Formula | C6H8Cl2N2 |
2,5-Difluorobenzonitrile, 98+%
CAS: 64248-64-2 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00001777 InChI Key: OJTMHIMQUQOLJV-UHFFFAOYSA-N Synonym: benzonitrile, 2,5-difluoro,2,5-difluoro benzonitrile,2,5-difluoro-benzonitrile,2,5-difluorobenzenecarbonitrile,ncr bf ef,pubchem4754,2,5-diflurobenzonitrile,2,5 difluorobenzonitrile,2,5-difluorobenzonitrile PubChem CID: 123558 IUPAC Name: 2,5-difluorobenzonitrile SMILES: FC1=CC=C(F)C(=C1)C#N
| PubChem CID | 123558 |
|---|---|
| CAS | 64248-64-2 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00001777 |
| SMILES | FC1=CC=C(F)C(=C1)C#N |
| Synonym | benzonitrile, 2,5-difluoro,2,5-difluoro benzonitrile,2,5-difluoro-benzonitrile,2,5-difluorobenzenecarbonitrile,ncr bf ef,pubchem4754,2,5-diflurobenzonitrile,2,5 difluorobenzonitrile,2,5-difluorobenzonitrile |
| IUPAC Name | 2,5-difluorobenzonitrile |
| InChI Key | OJTMHIMQUQOLJV-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2N |
3,4-Diaminobenzoic acid, 94%
CAS: 619-05-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007726 InChI Key: HEMGYNNCNNODNX-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid PubChem CID: 69263 IUPAC Name: 3,4-diaminobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)N
| PubChem CID | 69263 |
|---|---|
| CAS | 619-05-6 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007726 |
| SMILES | C1=CC(=C(C=C1C(=O)O)N)N |
| Synonym | benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid |
| IUPAC Name | 3,4-diaminobenzoic acid |
| InChI Key | HEMGYNNCNNODNX-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Methyl-5-nitrobenzenesulfonyl chloride, 97%
CAS: 121-02-8 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.64 MDL Number: MFCD00051695 InChI Key: WPGVQDHXOUAJBW-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride PubChem CID: 8457 IUPAC Name: 2-methyl-5-nitrobenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O
| PubChem CID | 8457 |
|---|---|
| CAS | 121-02-8 |
| Molecular Weight (g/mol) | 235.64 |
| MDL Number | MFCD00051695 |
| SMILES | CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O |
| Synonym | 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride |
| IUPAC Name | 2-methyl-5-nitrobenzenesulfonyl chloride |
| InChI Key | WPGVQDHXOUAJBW-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
Ethyl 4-iodobenzoate, 98%
CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1
| PubChem CID | 142891 |
|---|---|
| CAS | 51934-41-9 |
| Molecular Weight (g/mol) | 276.07 |
| MDL Number | MFCD00017344 |
| SMILES | CCOC(=O)C1=CC=C(I)C=C1 |
| Synonym | p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate |
| IUPAC Name | ethyl 4-iodobenzoate |
| InChI Key | YCBJOQUNPLTBGG-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
2-Chloro-6-fluorobenzylideneacetone, 98%
CAS: 175136-82-0 Molecular Formula: C10H8ClFO Molecular Weight (g/mol): 198.621 MDL Number: MFCD00051608 InChI Key: VZRBDBXFAKDNDJ-AATRIKPKSA-N Synonym: 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one PubChem CID: 5373895 IUPAC Name: (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=C(C=CC=C1Cl)F
| PubChem CID | 5373895 |
|---|---|
| CAS | 175136-82-0 |
| Molecular Weight (g/mol) | 198.621 |
| MDL Number | MFCD00051608 |
| SMILES | CC(=O)C=CC1=C(C=CC=C1Cl)F |
| Synonym | 2-chloro-6-fluorobenzylideneacetone,3e-4-2-chloro-6-fluorophenyl but-3-en-2-one,4-2-chloro-6-fluorophenyl but-3-en-2-one,1-2-chloro-6-fluorophenyl but-1-en-3-one,e-4-2-chloro-6-fluoro-phenyl but-3-en-2-one,labotest-bb lt00455271,1-2-chloro-6-fluorophenyl-1-buten-2-one,e-4-2-chloro-6-fluorophenyl-3-buten-2-one,e-4-2-chloro-6-fluorophenyl but-3-en-2-one |
| IUPAC Name | (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one |
| InChI Key | VZRBDBXFAKDNDJ-AATRIKPKSA-N |
| Molecular Formula | C10H8ClFO |
4-Bromobenzophenone, 98%
CAS: 90-90-4 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.12 MDL Number: MFCD00000103 InChI Key: KEOLYBMGRQYQTN-UHFFFAOYSA-N Synonym: 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone PubChem CID: 7030 SMILES: BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 7030 |
|---|---|
| CAS | 90-90-4 |
| Molecular Weight (g/mol) | 261.12 |
| MDL Number | MFCD00000103 |
| SMILES | BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone |
| InChI Key | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrO |
Cinnamylideneacetophenone, 98+%
CAS: 614-57-3 Molecular Formula: C17H14O Molecular Weight (g/mol): 234.298 MDL Number: MFCD00020692 InChI Key: QONKLJMPKWQQFG-HPIZBCMHSA-N Synonym: cinnamylideneacetophenone,cinnamalacetophenone,5-phenyl-2,4-pentadienophenone,5-phenylpenta-2,4-dienophenone,2e,4e-1,5-diphenylpenta-2,4-dien-1-one,?,e-1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadienophenone, 5-phenyl,2,4-pentadien-1-one, 1,5-diphenyl-, ?,e,1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadien-1-one, 1,5-diphenyl PubChem CID: 1549519 IUPAC Name: (2E,4E)-1,5-diphenylpenta-2,4-dien-1-one SMILES: C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2
| PubChem CID | 1549519 |
|---|---|
| CAS | 614-57-3 |
| Molecular Weight (g/mol) | 234.298 |
| MDL Number | MFCD00020692 |
| SMILES | C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2 |
| Synonym | cinnamylideneacetophenone,cinnamalacetophenone,5-phenyl-2,4-pentadienophenone,5-phenylpenta-2,4-dienophenone,2e,4e-1,5-diphenylpenta-2,4-dien-1-one,?,e-1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadienophenone, 5-phenyl,2,4-pentadien-1-one, 1,5-diphenyl-, ?,e,1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadien-1-one, 1,5-diphenyl |
| IUPAC Name | (2E,4E)-1,5-diphenylpenta-2,4-dien-1-one |
| InChI Key | QONKLJMPKWQQFG-HPIZBCMHSA-N |
| Molecular Formula | C17H14O |
1-Chloro-2,4-difluorobenzene, 98%
CAS: 1435-44-5 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00042569 InChI Key: AJCSNHQKXUSMMY-UHFFFAOYSA-N PubChem CID: 137001 IUPAC Name: 1-chloro-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)Cl
| PubChem CID | 137001 |
|---|---|
| CAS | 1435-44-5 |
| Molecular Weight (g/mol) | 148.537 |
| MDL Number | MFCD00042569 |
| SMILES | C1=CC(=C(C=C1F)F)Cl |
| IUPAC Name | 1-chloro-2,4-difluorobenzene |
| InChI Key | AJCSNHQKXUSMMY-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClF2 |
2,5-Dimethoxybenzonitrile, 98%
CAS: 5312-97-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00016375 InChI Key: HWAMEJIMXIXLIH-UHFFFAOYSA-N PubChem CID: 79200 IUPAC Name: 2,5-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)OC)C#N
| PubChem CID | 79200 |
|---|---|
| CAS | 5312-97-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD00016375 |
| SMILES | COC1=CC(=C(C=C1)OC)C#N |
| IUPAC Name | 2,5-dimethoxybenzonitrile |
| InChI Key | HWAMEJIMXIXLIH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Pentafluorobenzaldehyde, 98%
CAS: 653-37-2 Molecular Formula: C7HF5O Molecular Weight (g/mol): 196.076 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69558 |
|---|---|
| CAS | 653-37-2 |
| Molecular Weight (g/mol) | 196.076 |
| MDL Number | MFCD00003303 |
| SMILES | C(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzaldehyde |
| InChI Key | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O |
4-Iodotoluene, 98%
CAS: 624-31-7 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001059 InChI Key: UDHAWRUAECEBHC-UHFFFAOYSA-N Synonym: 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- PubChem CID: 12207 IUPAC Name: 1-iodo-4-methylbenzene SMILES: CC1=CC=C(C=C1)I
| PubChem CID | 12207 |
|---|---|
| CAS | 624-31-7 |
| Molecular Weight (g/mol) | 218.037 |
| MDL Number | MFCD00001059 |
| SMILES | CC1=CC=C(C=C1)I |
| Synonym | 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- |
| IUPAC Name | 1-iodo-4-methylbenzene |
| InChI Key | UDHAWRUAECEBHC-UHFFFAOYSA-N |
| Molecular Formula | C7H7I |
4-Methoxybenzaldehyde dimethyl acetal, 98%
CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1
| PubChem CID | 75140 |
|---|---|
| CAS | 2186-92-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00036507 |
| SMILES | COC(OC)C1=CC=C(OC)C=C1 |
| Synonym | 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal |
| IUPAC Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
3-Hydroxybenzyl alcohol, 97%
CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO
| PubChem CID | 102 |
|---|---|
| CAS | 620-24-6 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:17069 |
| MDL Number | MFCD00004643 |
| SMILES | C1=CC(=CC(=C1)O)CO |
| Synonym | 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol |
| IUPAC Name | 3-(hydroxymethyl)phenol |
| InChI Key | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |