Pedalitin

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Properties Simple | Detailed

Formula C16H12O7
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromen-4-one
Molecular Mass 316.262 g·mol−1
Heat of Formation -953.7 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 330.56 Å 3
Surface Area 304.87 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromone
  • 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one
  • 3',4',5,6-tetrahydroxy-7-methoxyflavone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-
  • 5,6,3',4'-tetrahydroxy-7-methoxyflavone
  • flavone, 3',4',5,6-tetrahydroxy-7-methoxy-
CAS Number(s)
  • 22384-63-0
InChIKey QWUHUBDKQQPMQG-UHFFFAOYSA-N
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