Itanoxone

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Properties Simple | Detailed

Formula C17H13ClO3
IUPAC Name 4-[4-(2-chlorophenyl)phenyl]-2-methylene-4-oxo-butanoic acid
Molecular Mass 300.736 g·mol−1
Heat of Formation -323.4 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 346.1 Å 3
Surface Area 312.35 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-
  • 2'-chloro-alpha-methylene-gamma-oxo-(1,1'-biphenyl)-4-butanoic acid
  • 2-(p-(o-chlorophenyl)phenacyl)acrylic acid
  • 2-[2-[4-(2-chlorophenyl)phenyl]-2-keto-ethyl]acrylic acid
  • 2-methylene-4-oxo-4-(4'-ortho-chlorophenylphenyl)butyric acid
  • 4-[4-(2-chlorophenyl)phenyl]-2-methylene-4-oxobutanoic acid
  • 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxo-butanoic acid
  • 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxobutanoic acid
  • f 1379
CAS Number(s)
  • 58182-63-1
InChIKey HJWLWNLAIBFKDO-UHFFFAOYSA-N
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Elements H C O Cl