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

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Properties Simple | Detailed

Formula C17H15O7+
IUPAC Name 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one
Molecular Mass 331.297 g·mol−1
Heat of Formation -932.4 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 352.9 Å 3
Surface Area 322.7 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromone
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-chromenone
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
  • jaceosidin
CAS Number(s)
  • 18085-97-7
InChIKey GLAAQZFBFGEBPS-UHFFFAOYSA-N
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