(3,4,5-Trihydroxybenzylidene)Malononitrile

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Properties Simple | Detailed

Formula C10H6N2O3
IUPAC Name 2-[(3,4,5-trihydroxyphenyl)methylene]propanedinitrile
Molecular Mass 202.166 g·mol−1
Heat of Formation -119.6 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 230.15 Å 3
Surface Area 223.84 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • ((3,4,5-trihydroxyphenyl)methylene)propanedinitrile
  • (3,4,5-trihydroxybenzylidene)-malononitrile
  • 2-(3,4,5-trihydroxybenzylidene)malononitrile
  • 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile
  • ag 82
  • alpha-cyano-(3,4,5-trihydroxy)cinnamonitrile
  • benzylidenemalononitrile (bmn) deriv. 25
  • biomolki2_000022
  • biomolki_000012
  • hsci1_000114
  • propanedinitrile, ((3,4,5-trihydroxyphenyl)methylene)-
  • tyrphostin 25
  • tyrphostin a 25
  • tyrphostin a25
  • tyrphostin-25
CAS Number(s)
  • 158129-55-6
  • 118409-58-8
InChIKey YZOFLYUAQDJWKV-UHFFFAOYSA-N
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