Ozagrel

Molecule SVG Image

Properties Simple | Detailed

Formula C13H12N2O2
IUPAC Name (e)-3-[4-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)phenyl]prop-2-enoic acid
Molecular Mass 228.247 g·mol−1
Heat of Formation -71.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 279.78 Å 3
Surface Area 264.9 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-(1-imidazolylmethyl)phenyl]prop-2-enoic acid
  • (e)-3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid
  • (e)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
  • (e)-p-(imidazol-1-ylmethyl)cinnamic acid
  • 2-propenoic acid, 3-(4-(1h-imidazol-1-ylmethyl)phenyl)-, (e)-
  • 3-[4-(1-imidazolylmethyl)phenyl]prop-2-enoic acid
  • 3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid
  • 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
  • bpbio1_001119
  • ozagrel (e)
  • ozagrelum [latin]
CAS Number(s)
  • 82571-53-7
InChIKey SHZKQBHERIJWAO-AATRIKPKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N