(2E)-2-(3,4-Dihydroxybenzoyl)-3-(3,4-Dihydroxyphenyl)Acrylonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C16H11NO5
IUPAC Name (e)-2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Molecular Mass 297.262 g·mol−1
Heat of Formation -473.9 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 335.31 Å 3
Surface Area 305.95 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (alphae)-alpha-[(3,4-dihydroxyphenyl)methylene]-3,4-dihydroxy-beta-oxo-benzenepropanenitrile
  • (e)-2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)acrylonitrile
  • (e)-2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
  • (e)-3-(3,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)carbonyl-prop-2-enenitrile
  • (e)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]prop-2-enenitrile
  • 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)acrylonitrile
  • 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
  • 3-(3,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)carbonyl-prop-2-enenitrile
  • 3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]prop-2-enenitrile
  • 3-(3,4-dihydroxyphenyl)-2-[1-(3,4-dihydroxyphenyl)methanoyl]acrylonitrile
  • tyrphostin deriv. 24
InChIKey CANOJKGQDCJDOX-VZUCSPMQSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N