(3Z)-2-Amino-4-(3,4,5-Trihydroxyphenyl)-1,3-Butadiene-1,1,3-Tricarbonitrile

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Formula C13H8N4O3
IUPAC Name (3z)-2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Molecular Mass 268.228 g·mol−1
Heat of Formation 55.4 ± 16.7 kJ·mol−1
Dipole Moment 7.85 ± 1.08 D
Volume 311.57 Å 3
Surface Area 285.14 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
  • 1,3-butadiene-1,1,3-tricarbonitrile, 2-amino-4-(3,4,5-trihydroxyphenyl)-, (z)-
  • 2-amino-1,1,3-tricyano-4-(3′,4′,5′-trihydroxyphenyl)butadiene
  • 2-amino-1,1,3-tricyano-4-(3',4',5'-trihydroxyphenyl)butadiene
  • 2-amino-4-(3′,4′,5′-trihydroxyphenyl)-1,1,3-tricyanobuta-1,3-diene
  • 2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
  • ag 183
  • ag-183
  • benzylidenemalononitrile (bmn) deriv. 51
  • biomolki2_000025
  • biomolki_000015
  • hsci1_000160
  • tyrphostin 51
  • tyrphostin a51
  • tyrphostin ag 183
CAS Number(s)
  • 126433-07-6
  • 122520-90-5
InChIKey JKNOYWVMHPMBEL-UNXLUWIOSA-N
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