(2E)-3-[4-(2,2-Dicyanovinyl)Phenyl]Acrylic Acid

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Properties Simple | Detailed

Formula C13H8N2O2
IUPAC Name (e)-3-[4-(2,2-dicyanovinyl)phenyl]prop-2-enoic acid
Molecular Mass 224.215 g·mol−1
Heat of Formation 112.9 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 276.98 Å 3
Surface Area 264.86 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • ((4-(1-carboxyethen-2-yl)phenyl)methylene)propanedinitrile
  • (4-(1-carboxyethen-2-yl)benzylidene)malononitrile
  • (e)-3-[4-(2,2-dicyanoethenyl)phenyl]prop-2-enoic acid
  • (e)-3-[4-(2,2-dicyanovinyl)phenyl]acrylic acid
  • (e)-3-[4-(2,2-dicyanovinyl)phenyl]prop-2-enoic acid
  • 2-propenoic acid, 3-(4-(2,2-dicyanoethenyl)phenyl)-
  • benzylidenemalononitrile (bmn) deriv. 11
  • cinnbzmeprcn2
  • tyrphostin 11
CAS Number(s)
  • 122520-73-4
InChIKey FYUKHNUSVGJQFX-AATRIKPKSA-N
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