3-Benzoylpropionic Acid

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Properties Simple | Detailed

Formula C10H10O3
IUPAC Name 4-oxo-4-phenyl-butanoic acid
Molecular Mass 178.185 g·mol−1
Heat of Formation -472.7 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 213.19 Å 3
Surface Area 211.35 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry Cs
Synonyms
  • .beta.-benzoylpropionic acid
  • 3-benzoylpropanoic acid
  • 4-keto-4-phenyl-butyric acid
  • 4-oxo-4-phenylbutanoic acid
  • 4-oxo-4-phenylbutyric acid
  • ae-641/00168025
  • benzenebutanoic acid, .gamma.-oxo-
  • benzenebutanoic acid, gamma-oxo-
  • beta-benzoylpropionic acid
  • chemdiv3_013347
  • propanoic acid, 3-benzoyl-
  • propionic acid, 3-benzoyl-
  • propionic acid, 3-benzoyl- (8ci)
CAS Number(s)
  • 2051-95-8
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
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