Xanthotoxol

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Properties Simple | Detailed

Formula C11H6O4
IUPAC Name 9-hydroxyfuro[3,2-g]chromen-7-one
Molecular Mass 202.163 g·mol−1
Heat of Formation -364.9 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 211.29 Å 3
Surface Area 205.38 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-propenoic acid, 3-(6,7-dihydroxy-5-benzofuranyl)-, .delta.-lactone
  • 5-benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone (7ci)
  • 6,7-dihydroxy-5-benzofuranacrylic acid gamma-lactone
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-
  • 7h-furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-
  • 8-hydroxyfuranocoumarin
  • 8-hydroxypsoralen
  • 8-hydroxypsoralene
  • 9-hydroxy-7-furo[3,2-g]chromenone
  • 9-hydroxy-7h-furo(3,2-g)(1)benzopyran-7-one
  • 9-hydroxy-7h-furo[3,2-g]chromen-7-one
  • psoralen, 8-hydroxy-
  • xanthotoxol (6ci)
CAS Number(s)
  • 2009-24-7
InChIKey JWVYQQGERKEAHW-UHFFFAOYSA-N
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