3,6-Dihydroxy-7-Methoxy-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C10H8O5
IUPAC Name 3,6-dihydroxy-7-methoxy-chromen-2-one
Molecular Mass 208.168 g·mol−1
Heat of Formation -660.7 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 221.89 Å 3
Surface Area 214.98 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 3,6-dihydroxy-7-methoxy-
  • 3,6-dihydroxy-7-methoxy-2-chromenone
  • 3,6-dihydroxy-7-methoxy-coumarin
  • 3,6-dihydroxy-7-methoxychromen-2-one
  • 3-hydroxyisoscopoletin
CAS Number(s)
  • 127861-48-7
InChIKey LGBJNBVXHNNETR-UHFFFAOYSA-N
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