Daphnetin

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Properties Simple | Detailed

Formula C9H6O4
IUPAC Name 7,8-dihydroxychromen-2-one
Molecular Mass 178.142 g·mol−1
Heat of Formation -495.7 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 187.72 Å 3
Surface Area 186.72 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 7,8-dihydroxy-
  • 2h-1-benzopyran-2-one, 7,8-dihydroxy- (9ci)
  • 7,8-dihydroxy-2-chromenone
  • 7,8-dihydroxy-2h-1-benzopyran-2-one
  • 7,8-dihydroxy-2h-chromen-2-one
  • 7,8-dihydroxy-coumarin
  • 7,8-dihydroxycoumarin
  • daphnetol
  • oprea1_044324
CAS Number(s)
  • 486-35-1
InChIKey ATEFPOUAMCWAQS-UHFFFAOYSA-N
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