Alpinumisoflavone

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Properties Simple | Detailed

Formula C20H16O5
IUPAC Name 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-6-one
Molecular Mass 336.338 g·mol−1
Heat of Formation -624.7 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 375.24 Å 3
Surface Area 335.67 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,6h-benzodipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-
  • 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-4-pyrano[5,6-g]chromenone
  • 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-pyrano[5,6-g]chromen-4-one
  • 5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[5,6-g]chromen-4-one
  • 5-hydroxy-7-(p-hydroxyphenyl)-2,2-dimethyl-2h,6h-benzodipyran-6-one
CAS Number(s)
  • 34086-50-5
InChIKey RQAMSFTXEFSBPK-UHFFFAOYSA-N
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