(3,4-Dihydroxybenzylidene)Malononitrile

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Properties Simple | Detailed

Formula C10H6N2O2
IUPAC Name 2-[(3,4-dihydroxyphenyl)methylene]propanedinitrile
Molecular Mass 186.167 g·mol−1
Heat of Formation 64.6 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 221.63 Å 3
Surface Area 215.67 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (3,4-dihydroxyphenyl)methylene propanedinitrile
  • 2-(3,4-dihydroxybenzylidene)malononitrile
  • 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile
  • ag 18
  • alpha-cyano-(3,4-dihydroxy)cinnamonitrile
  • benzylidenemalononitrile (bmn) deriv. 23
  • biomolki2_000021
  • biomolki_000011
  • hsci1_000108
  • oprea1_072726
  • propanedinitrile, ((3,4-dihydroxyphenyl)methylene)-
  • rg 50810
  • rg-50810
  • tocris-0493
  • tyrphostin 23
  • tyrphostin a23
  • tyrphostin ag18
  • tyrphostin rg50810
CAS Number(s)
  • 118409-57-7
InChIKey VTJXFTPMFYAJJU-UHFFFAOYSA-N
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