Scopoletin

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Properties Simple | Detailed

Formula C10H9O4+
IUPAC Name 7-hydroxy-6-methoxy-chromen-2-one
Molecular Mass 193.176 g·mol−1
Heat of Formation -498.2 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 211.39 Å 3
Surface Area 206.57 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-methylesculetin
  • 2h-1-benzopyran-2-one, 7-hydroxy-6-methoxy-
  • 2h-1-benzopyran-2-one, 7-hydroxy-6-methoxy- (9ci)
  • 6-methoxy-7-hydroxycoumarin
  • 6-methoxyumbelliferone
  • 6-methylesculetin
  • 6-o-methylesculetin
  • 7-hydroxy-5-methoxycoumarin
  • 7-hydroxy-6-methoxy-2-chromenone
  • 7-hydroxy-6-methoxy-2h-1-benzopyran-2-one
  • 7-hydroxy-6-methoxy-2h-chromen-2-one
  • 7-hydroxy-6-methoxy-coumarin
  • 7-hydroxy-6-methoxychromen-2-one
  • 7-hydroxy-6-methoxycoumarin
  • acon1_000143
  • beta-methylesculetin
  • bpbio1_001061
  • chrysatropic acid
  • coumarin, 7-hydroxy-6-methoxy-
  • escopoletin
  • esculetin 6-methyl ether
  • esculetin-6-methyl ether
  • gelseminic acid
  • megxp0_001192
  • murrayetin
  • scopoletine
  • scopoletol
  • tnp00096
CAS Number(s)
  • 92-61-5
InChIKey RODXRVNMMDRFIK-UHFFFAOYSA-N
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