4-Methyl-7,8-Dihydroxycoumarin

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Properties Simple | Detailed

Formula C10H8O4
IUPAC Name 7,8-dihydroxy-4-methyl-chromen-2-one
Molecular Mass 192.168 g·mol−1
Heat of Formation -537.9 ± 16.7 kJ·mol−1
Dipole Moment 7.30 ± 1.08 D
Volume 208.73 Å 3
Surface Area 202.72 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry Cs
Synonyms
  • 2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl-
  • 2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl- (9ci)
  • 4-methyldaphnetin
  • 4-methyldaphnetine
  • 7,8-dihydroxy-4-methyl-2-benzopyrone
  • 7,8-dihydroxy-4-methyl-2-chromenone
  • 7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one
  • 7,8-dihydroxy-4-methyl-coumarin
  • 7,8-dihydroxy-4-methylchromen-2-one
  • 7,8-dihydroxy-4-methylcoumarin
  • coumarin, 7,8-dihydroxy-4-methyl-
  • oprea1_604916
CAS Number(s)
  • 2107-77-9
InChIKey NWQBYMPNIJXFNQ-UHFFFAOYSA-N
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