Iso-Scopoletin

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Properties Simple | Detailed

Formula C10H9O4+
IUPAC Name 6-hydroxy-7-methoxy-chromen-2-one
Molecular Mass 193.176 g·mol−1
Heat of Formation -481.9 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 209.97 Å 3
Surface Area 206.12 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 6-hydroxy-7-methoxy-
  • 6-hydroxy-7-methoxy-2-benzopyrone
  • 6-hydroxy-7-methoxy-2-chromenone
  • 6-hydroxy-7-methoxy-coumarin
  • 6-hydroxy-7-methoxychromen-2-one
  • 6-hydroxy-7-methoxycoumarin
  • 7-methoxyesculetin
  • 7-methyl esculetin
  • esculetin 7-methyl ether
  • isoscopoletin
CAS Number(s)
  • 776-86-3
InChIKey SYTYLPHCLSSCOJ-UHFFFAOYSA-N
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