Daphnetin 7-Methyl Ether

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Properties Simple | Detailed

Formula C10H9O4+
IUPAC Name 8-hydroxy-7-methoxy-chromen-2-one
Molecular Mass 193.176 g·mol−1
Heat of Formation -477.5 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 209.1 Å 3
Surface Area 205.6 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 8-hydroxy-7-methoxy-
  • 8-hydroxy-7-methoxy-2-chromenone
  • 8-hydroxy-7-methoxy-2h-1-benzopyran-2-one
  • 8-hydroxy-7-methoxy-coumarin
  • 8-hydroxy-7-methoxychromen-2-one
  • 8-hydroxy-7-methoxycoumarin
  • daphnetin-7-methyl ether
  • daphnetin-7-methylether
CAS Number(s)
  • 19492-03-6
InChIKey KIGCGZUAVODHMD-UHFFFAOYSA-N
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Elements H C O