3-Benzoylacrylic Acid, Pract.

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Properties Simple | Detailed

Formula C10H8O3
IUPAC Name (e)-4-oxo-4-phenyl-but-2-enoic acid
Molecular Mass 176.169 g·mol−1
Heat of Formation -343.5 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 208.0 Å 3
Surface Area 207.11 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-keto-4-phenyl-but-2-enoic acid
  • (e)-4-oxo-4-phenyl-but-2-enoic acid
  • (e)-4-oxo-4-phenylbut-2-enoic acid
  • .beta.-benzoylacrylic acid
  • 2-butenoic acid, 4-oxo-4-phenyl-
  • 3-benzoylacrylic acid
  • 4-keto-4-phenyl-but-2-enoic acid
  • 4-oxo-4-phenyl-2-butenoic acid
  • 4-oxo-4-phenyl-but-2-enoic acid
  • 4-oxo-4-phenylbut-2-enoic acid
  • 4-phenyl-4-oxo-2-butenoic acid
  • acrylic acid, 3-benzoyl-
  • acrylic acid, 3-benzoyl- (6ci,7ci,8ci)
  • benzoylacrylic acid
  • crotonic acid, 4-oxo-4-phenyl-
  • fr-0643
  • trans-3-benzoylacrylic acid
CAS Number(s)
  • 583-06-2
InChIKey PLPDHGOODMBBGN-VOTSOKGWSA-N
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