4-Benzoylbutyric Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H12O3
IUPAC Name 5-oxo-5-phenyl-pentanoic acid
Molecular Mass 192.211 g·mol−1
Heat of Formation -490.2 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 235.92 Å 3
Surface Area 231.91 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-keto-5-phenyl-valeric acid
  • 5-oxo-5-phenylpentanoic acid
  • 5-oxo-5-phenylvaleric acid
  • ap-406/42754026
  • benzenepentanoic acid, .delta.-oxo-
  • benzenepentanoic acid, delta-oxo- (9ci)
  • butanoic acid, 4-benzoyl-
  • chemdiv3_000839
  • fr-0383
  • oprea1_086414
CAS Number(s)
  • 1501-05-9
InChIKey SHKWSBAVRQZYLE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O