Chem
J-GLOBAL ID：200907079021249667
Nikkaji number：J2.002.000H
3-(2,5-Dimethylphenyl)butyric acid
3-(2,5-ジメチルフェニル)酪酸
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： C12H16O2
Molecular formula furigana： C12-H16-O2
Molecular weight： 192.258
InChI：
InChI=1S/C12H16O2/c1-8-4-5-9(2)11(6-8)10(3)7-12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)
InChI key：
PXKLJKBWMFHYCB-UHFFFAOYSA-N
SMILES：
CC(CC(=O)O)c1cc(C)ccc1C
Systematic name (3)：
- 3-(2,5-ジメチルフェニル)ブタン酸
- 3-(2,5-ジメチルフェニル)酪酸
- 3-(2,5-dimethylphenyl)butanoic acid
- 3-(2,5-Dimethylphenyl)butanoic acid
- 3-(2,5-Dimethylphenyl)butyric acid
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