Chem
J-GLOBAL ID：200907022594870534   Nikkaji number：J546.101D

5-Benzoylvaleric acid

5-ベンゾイル吉草酸
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： C12H14O3
Molecular formula furigana： C12-H14-O3
Molecular weight： 206.241
InChI： InChI=1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChI key： AIEMSTCGCMIJTI-UHFFFAOYSA-N
SMILES： OC(=O)CCCCC(=O)c1ccccc1
Systematic name  (4)：
  • 6-フェニル-6-オキソヘキサン酸
  • 5-ベンゾイル吉草酸
  • 6-オキソ-6-フェニルヘキサン酸
  • 6-oxo-6-phenylhexanoic acid
Other name (3)：
  • 6-Phenyl-6-oxohexanoic acid
  • 5-Benzoylvaleric acid
  • 6-Oxo-6-phenylhexanoic acid
CAS registry number： 4144-62-1
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