3,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H12O6
IUPAC Name 3,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
Molecular Mass 300.263 g·mol−1
Heat of Formation -728.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 324.45 Å 3
Surface Area 300.51 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
  • 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone
  • 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone
  • 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
  • 4h-1-benzopyran-4-one, 3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • geraldol
CAS Number(s)
  • 21511-25-1
InChIKey WRFQRUBJBPLPAM-UHFFFAOYSA-N
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