Bergaptol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H6O4
IUPAC Name 4-hydroxyfuro[3,2-g]chromen-7-one
Molecular Mass 202.163 g·mol−1
Heat of Formation -393.4 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 210.88 Å 3
Surface Area 204.16 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-7-furo[3,2-g]chromenone
  • 4-hydroxy-7h-furo[3,2-g]chromen-7-one
  • 5-hydroxyfuranocoumarin
  • 5-hydroxypsoralen
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 4-hydroxy- (8ci)(9ci)
  • 7h-furo[3,2-g][1]benzopyran-7-one, 4-hydroxy-
  • psoralin, 5-hydroxy-
CAS Number(s)
  • 486-60-2
InChIKey GIJHDGJRTUSBJR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O