Chem
J-GLOBAL ID：200907028761452209   Nikkaji number：J195.103C

δ-Oxo-4-methylbenzenevaleric acid

δ-オキソ-4-メチルベンゼン吉草酸
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/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChI key： MCWLCBLXRSXGTF-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C(=O)CCCC(=O)O
Systematic name  (5)：
  • 4-メチル-δ-オキソベンゼンペンタン酸
  • δ-オキソ-4-メチルベンゼン吉草酸
  • 5-(4-メチルフェニル)-5-オキシペンタン酸
  • 5-(4-メチルフェニル)-5-オキソペンタン酸
  • 5-(4-methylphenyl)-5-oxopentanoic acid
Other name (3)：
  • 4-Methyl-δ-oxobenzenepentanoic acid
  • δ-Oxo-4-methylbenzenevaleric acid
  • 5-(4-Methylphenyl)-5-oxypentanoic acid
CAS registry number： 833-85-2
Regulation number (1)：
  • EINECS2126326
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