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

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Properties Simple | Detailed

Formula C20H18O6
IUPAC Name 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
Molecular Mass 354.353 g·mol−1
Heat of Formation -873.5 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 406.79 Å 3
Surface Area 351.55 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromenone
  • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone
  • 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxy-5-(3-methyl-2-butenyl)phenyl)-5,7-dihydroxy-
  • 5,7,3',4'-tetrahydroxy-5'-isoprenylflavanone
  • uralenin
CAS Number(s)
  • 139163-17-0
  • 10-02-6
InChIKey CQVDOHIEYGNTQX-UHFFFAOYSA-N
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