Chem
J-GLOBAL ID：200907071087405782   Nikkaji number：J47.060K

4-Phenylbutanoic acid methyl ester

4-フェニルブタン酸メチル
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/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI key： YRYZGVBKMWFWGT-UHFFFAOYSA-N
SMILES： COC(=O)CCCc1ccccc1
Systematic name  (6)：
  • 4-フェニルブタン酸メチル
  • 4-フェニル酪酸メチル
  • ベンゼン酪酸メチル
  • 1-[3-(メトキシカルボニル)プロピル]ベンゼン
  • メチル 4-フェニルブタノアート
Show all
Other name (4)：
  • 4-Phenylbutyric acid methyl ester
  • 4-Phenylbutanoic acid methyl ester
  • Benzenebutyric acid methyl ester
  • 1-[3-(Methoxycarbonyl)propyl]benzene
CAS registry number： 2046-17-5
Regulation number (2)：
  • (3)-1730
  • EINECS2180671
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