Chem
J-GLOBAL ID：200907087839284304
Nikkaji number：J95.014I
4-Acetylbenzoic acid
4-アセチル安息香酸
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： C9H8O3
Molecular formula furigana： C9-H8-O3
Molecular weight： 164.160
InChI：
InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
InChI key：
QBHDSQZASIBAAI-UHFFFAOYSA-N
SMILES：
CC(=O)c1ccc(cc1)C(=O)O
Systematic name (3)：
- 4-アセチル安息香酸
- p-アセチル安息香酸
- 4-acetylbenzoic acid
- 4-Acetylbenzoic acid
- 4′-Acetophenonecarboxylic acid
- p-Acetylbenzoic acid
Regulation number (2)：
- EINECS2095885
- 4-(4)-1185
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