5-Hydroxy-7-(4-Methoxyphenyl)-2,2-Dimethyl-2H,6H-Pyrano[3,2-G]Chromen-6-One

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Properties Simple | Detailed

Formula C21H18O5
IUPAC Name 5-hydroxy-7-(4-methoxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-6-one
Molecular Mass 350.365 g·mol−1
Heat of Formation -603.3 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 394.81 Å 3
Surface Area 355.05 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-3-(4-methoxyphenyl)-8,8-dimethyl-4-pyrano[5,6-g]chromenone
  • 5-hydroxy-3-(4-methoxyphenyl)-8,8-dimethyl-pyrano[5,6-g]chromen-4-one
  • 5-hydroxy-3-(4-methoxyphenyl)-8,8-dimethylpyrano[5,6-g]chromen-4-one
InChIKey QJSPPBAASCPSJB-UHFFFAOYSA-N
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