Tournefolic Acid B

Molecule SVG Image

Properties Simple | Detailed

Formula C17H12O6
IUPAC Name (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoic acid
Molecular Mass 312.274 g·mol−1
Heat of Formation -716.5 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 341.2 Å 3
Surface Area 308.86 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,3,10-trihydroxy-7-benzo[b][1]benzoxepinyl)prop-2-enoic acid
  • (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)acrylic acid
  • (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoic acid
InChIKey QOUSSKPKMYDXFC-ZZXKWVIFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O