6,7-Dihydroxy-4-Methyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C10H9O4+
IUPAC Name 6,7-dihydroxy-4-methyl-chromen-2-one
Molecular Mass 193.176 g·mol−1
Heat of Formation -561.8 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 209.2 Å 3
Surface Area 203.5 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl-
  • 4-methyl-6,7-dihydroxycoumarin
  • 4-methylaesculetin
  • 4-methylesculetin
  • 4-methylesculetol
  • 6,7-dihydroxy-4-methyl-2-chromenone
  • 6,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one
  • 6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
  • 6,7-dihydroxy-4-methyl-coumarin
  • 6,7-dihydroxy-4-methylchromen-2-one
  • 6,7-dihydroxy-4-methylcoumarin
  • beta-methylaesculetin
  • coumarin, 6,7-dihydroxy-4-methyl-
  • methylesculetin
  • oprea1_739367
  • sdccgmls-0066617.p001
CAS Number(s)
  • 529-84-0
InChIKey KVOJTUXGYQVLAJ-UHFFFAOYSA-N
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