Chem
J-GLOBAL ID：200907098484772630   Nikkaji number：J102.619D

3-Phenylbutyric acid methyl ester

3-フェニル酪酸メチル
Substance type：
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
Molecular formula： C11H14O2
Molecular formula furigana： C11-H14-O2
Molecular weight： 178.231
InChI： InChI=1S/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI key： DSWKGCIHFICHAC-UHFFFAOYSA-N
SMILES： COC(=O)CC(C)c1ccccc1
Systematic name  (5)：
  • 3-フェニルブタン酸メチル
  • 3-フェニル酪酸メチル
  • β-メチルベンゼンプロピオン酸メチル
  • メチル 3-フェニルブタノアート
  • methyl 3-phenylbutanoate
Other name (3)：
  • 3-Phenylbutyric acid methyl ester
  • 3-Phenylbutanoic acid methyl ester
  • β-Methylbenzenepropionic acid methyl ester
CAS registry number： 3461-39-0
Regulation number (1)：
  • (3)-1730
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