Tournefolic Acid A

Molecule SVG Image

Properties Simple | Detailed

Formula C17H12O6
IUPAC Name (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]prop-2-enoic acid
Molecular Mass 312.274 g·mol−1
Heat of Formation -724.8 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 341.71 Å 3
Surface Area 320.9 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoic acid
  • (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-benzofuranyl]prop-2-enoic acid
  • (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid
  • (e)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]prop-2-enoic acid
InChIKey KSKIGSUQYGWNAK-ZZXKWVIFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O