Chem
J-GLOBAL ID：200907075564538310
Nikkaji number：J47.804K
3-Methylbenzoic acid
3-メチル安息香酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C8H8O2
Molecular formula furigana： C8-H8-O2
Molecular weight： 136.150
InChI：
InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI key：
GPSDUZXPYCFOSQ-UHFFFAOYSA-N
SMILES：
Cc1cccc(c1)C(=O)O
Systematic name (4)：
- m-メチル安息香酸
- 3-メチル安息香酸
- m-トルイル酸
- 3-methylbenzoic acid
- m-Toluic acid
- m-Methylbenzoic acid
- 3-Methylbenzoic acid
- m-トル酸
Regulation number (4)：
- XU1200000
- (3)-1285
- EINECS2027239
- TSCA(99-04-7)
KEGG COMPOUND：
C07211
Application (1)：
metabolite
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