3,7,9-Trihydroxy-1-Methyl-6H-Benzo[C]Chromen-6-One

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Properties Simple | Detailed

Formula C14H11O5+
IUPAC Name 3,7,9-trihydroxy-1-methyl-benzo[c]chromen-6-one
Molecular Mass 259.234 g·mol−1
Heat of Formation -703.2 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 273.08 Å 3
Surface Area 251.82 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,4,4'-trihydroxy-6'-methyl-2-biphenylcarboxylic acid, gamma lactone
  • 3,7,9-trihydroxy-1-methyl-6-benzo[c]isochromenone
  • 3,7,9-trihydroxy-1-methyl-6h-dibenzo(b,d)pyran-6-one
  • 3,7,9-trihydroxy-1-methyl-benzo[c]isochromen-6-one
  • 3,7,9-trihydroxy-1-methylbenzo[c]isochromen-6-one
  • 6h-dibenzo(b,d)pyran-6-one, 1-methyl-3,7,9-trihydroxy-
  • 6h-dibenzo[b,d]pyran-6-one, 3,7,9-trihydroxy-1-methyl-
  • acon0_000598
  • acon1_001301
  • alternariol
  • alternariol from alternaria sp.
  • aoh
  • megxm0_000137
CAS Number(s)
  • 641-38-3
InChIKey CEBXXEKPIIDJHL-UHFFFAOYSA-N
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