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

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Properties Simple | Detailed

Formula C10H8O5
IUPAC Name 3,7-dihydroxy-6-methoxy-chromen-2-one
Molecular Mass 208.168 g·mol−1
Heat of Formation -661.1 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 219.23 Å 3
Surface Area 213.96 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 3,7-dihydroxy-6-methoxy-
  • 3,7-dihydroxy-6-methoxy-2-chromenone
  • 3,7-dihydroxy-6-methoxy-coumarin
  • 3,7-dihydroxy-6-methoxychromen-2-one
  • 3-hydroxyscopoletin
CAS Number(s)
  • 127861-47-6
InChIKey OYTFXDXDHQVNQJ-UHFFFAOYSA-N
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Elements H C O