Chem
J-GLOBAL ID：200907064742932379
Nikkaji number：J5.162D
4-Methylbenzoic acid
4-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/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChI key：
LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES：
Cc1ccc(cc1)C(=O)O
Systematic name (4)：
- 4-メチルベンゼンカルボン酸
- p-メチル安息香酸
- 4-メチル安息香酸
- 4-methylbenzoic acid
- p-トルイル酸
- p-Toluic acid
- 4-Methylbenzoic acid
- p-トルエン酸
- p-Methylbenzoic acid
Regulation number (4)：
- XU1575000
- (3)-1285
- EINECS2028033
- TSCA(99-94-5)
KEGG COMPOUND：
C01454
Application (1)：
metabolite
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