4-[(1Z,3Z)-2,3-Diisocyano-4-(4-Methoxyphenyl)-1,3-Butadien-1-Yl]Phenol

Molecule SVG Image

Properties Simple | Detailed

Formula C19H14N2O2
IUPAC Name 4-[(1z,3z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
Molecular Mass 302.327 g·mol−1
Heat of Formation 351.7 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 381.45 Å 3
Surface Area 346.25 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1z,3z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenol
  • ethylene isocyanide, (p-hydroxybenzylidene)(p-methoxybenzylidine)-
  • phenol, 4-(2,3-diisocyano-4-(4-methoxyphenyl)-1,3-butadienyl)- (9ci)
  • xanthocillin x monomethyl ether
CAS Number(s)
  • 19559-24-1
InChIKey NIFGBMKUAMIQJA-BKHHGCLFSA-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