7-Hydroxy-3-[4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H18O4
IUPAC Name 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Molecular Mass 322.355 g·mol−1
Heat of Formation -459.6 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 382.48 Å 3
Surface Area 331.99 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-4-chromenone
  • 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromone
  • neobavaisoflavone
InChIKey OBGPEBYHGIUFBN-UHFFFAOYSA-N
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Elements H C O