5,6-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3,7-Dimethoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C18H16O8
IUPAC Name 5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromen-4-one
Molecular Mass 360.315 g·mol−1
Heat of Formation -1074.3 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 382.81 Å 3
Surface Area 344.4 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,7-dimethoxy-chromone
  • 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4-chromenone
  • 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one
  • chrysosplenol
  • chrysosplenol c
  • quercetagetin 3,7,3'-trimethyl ether
CAS Number(s)
  • 23370-16-3
InChIKey QQBSPLCHDUCBNM-UHFFFAOYSA-N
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