Ethyl (2E)-3-(4,7,8-Trihydroxydibenzo[B,F]Oxepin-1-Yl)Acrylate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H16O6
IUPAC Name ethyl (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoate
Molecular Mass 340.327 g·mol−1
Heat of Formation -726.5 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 381.91 Å 3
Surface Area 348.88 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,3,10-trihydroxy-7-benzo[b][1]benzoxepinyl)prop-2-enoic acid ethyl ester
  • (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)acrylic acid ethyl ester
  • ethyl (e)-3-(2,3,10-trihydroxybenzo[b][1]benzoxepin-7-yl)prop-2-enoate
InChIKey WIXDFLWXLUYIGH-VMPITWQZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O