Calycosin

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Properties Simple | Detailed

Formula C16H12O5
IUPAC Name 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
Molecular Mass 284.263 g·mol−1
Heat of Formation -570.6 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 311.08 Å 3
Surface Area 289.64 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 7,3'-dihydroxy-4'-methoxyisoflavone
  • 7-hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromone
  • 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-chromenone
  • 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
  • acon1_000650
  • megxp0_001325
CAS Number(s)
  • 20575-57-9
InChIKey ZZAJQOPSWWVMBI-UHFFFAOYSA-N
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