(2E)-4-(2'-Chloro-4-Biphenylyl)-2-Methyl-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C17H13ClO3
IUPAC Name (e)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxo-but-2-enoic acid
Molecular Mass 300.736 g·mol−1
Heat of Formation -336.1 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 344.48 Å 3
Surface Area 308.89 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxo-but-2-enoic acid
  • (e)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
  • (e)-4-[4-(2-chlorophenyl)phenyl]-4-keto-2-methyl-but-2-enoic acid
  • 2-butenoic acid, 4-(2'-chloro(1,1'-biphenyl)-4-yl)-2-methyl-4-oxo-
  • 2-methyl-4-oxo-4-(4'-o-chlorophenylphenyl)-2-butenoic acid
  • 4-(2'-chloro(1,1'-biphenyl)-4-yl)-2-methyl-4-oxo-2-butenoic acid
  • f 1439
CAS Number(s)
  • 58182-67-5
InChIKey PPNXEQJVVYPABW-ZHACJKMWSA-N
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Elements H C O Cl