6,8-Dihydroxy-7-Methoxy-3-Methylisocoumarin

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Properties Simple | Detailed

Formula C11H10O5
IUPAC Name 6,8-dihydroxy-7-methoxy-3-methyl-isochromen-1-one
Molecular Mass 222.194 g·mol−1
Heat of Formation -738.0 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 241.86 Å 3
Surface Area 229.67 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzopyran-1-one, 6,8-dihydroxy-7-methoxy-3-methyl-
  • 6,8-dihydroxy-7-methoxy-3-methyl-1-isochromenone
  • reticulol
CAS Number(s)
  • 26246-41-3
InChIKey LREZRXWUEZCZRU-UHFFFAOYSA-N
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