4-Phenylbutyric Acid

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Properties Simple | Detailed

Formula C10H12O2
IUPAC Name 4-phenylbutanoic acid
Molecular Mass 164.201 g·mol−1
Heat of Formation -357.5 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 211.52 Å 3
Surface Area 207.1 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • .gamma.-phenylbutyric acid
  • .omega.-phenylbutanoic acid
  • 1-phenylbutyric acid
  • 4-phenyl-butanoic acid
  • benzenebutanoic acid
  • benzenebutyric acid
  • butyric acid, 4-phenyl-
  • butyric acid, 4-phenyl- (8ci)
  • fr-2080
  • gamma-phenyl-butyric acid
  • gamma-phenylbutyric acid
  • hdinhib_000004
  • omega-phenylbutanoic acid
  • phenylbutyric acid
CAS Number(s)
  • 1821-12-1
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-N
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