3,6,7-Trihydroxy-2-{4-Hydroxy-3-[(3-Methyl-2-Buten-1-Yl)Oxy]Phenyl}-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C20H19O7+
IUPAC Name 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Molecular Mass 371.361 g·mol−1
Heat of Formation -932.6 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 410.97 Å 3
Surface Area 354.57 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3,6,7,3',4'-pentahydroxy-2'-isoprenylflavone
  • 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]-4-chromenone
  • 3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromone
  • 4h-benzopyran-4-one, 2-(3,4-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-3,6,7-trihydroxy-
CAS Number(s)
  • 139163-16-9
InChIKey XHGNOEWBXVPYDM-UHFFFAOYSA-N
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