Chem
J-GLOBAL ID：200907041210015165
Nikkaji number：J2.349.093E
4-(3-Oxobutyl)benzoic acid
4-(3-オキソブチル)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： C11H12O3
Molecular formula furigana： C11-H12-O3
Molecular weight： 192.214
InChI：
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
InChI key：
PJLBHTNCHZROBQ-UHFFFAOYSA-N
SMILES：
CC(=O)CCc1ccc(cc1)C(=O)O
Systematic name (2)：
- 4-(3-オキソブチル)安息香酸
- 4-(3-oxobutyl)benzoic acid
- 4-(3-Oxobutyl)benzoic acid
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