3-[3,4-Dihydroxy-5-(3-Methyl-2-Buten-1-Yl)Phenyl]-7-Hydroxy-5-Methoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C21H20O6
IUPAC Name 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-chromen-4-one
Molecular Mass 368.380 g·mol−1
Heat of Formation -795.4 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 423.65 Å 3
Surface Area 377.23 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-4-chromenone
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-chromone
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxychromen-4-one
  • 4h-1-benzopyran-4-one, 3-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-7-hydroxy-5-methoxy-
  • glisoflavone
CAS Number(s)
  • 125709-32-2
InChIKey PYVPKOSKOWDDSV-UHFFFAOYSA-N
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