5-Hydroxy-2-(4-Hydroxyphenyl)-3,6,7-Trimethoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C18H16O7
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromen-4-one
Molecular Mass 344.315 g·mol−1
Heat of Formation -894.1 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 373.58 Å 3
Surface Area 335.03 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-hydroxyphenyl)-3,6,7-trimethoxy-5-hydroxy-4h-1-benzopyran-4-one (penduletin)
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4-chromenone
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4h-1-benzopyran-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-chromone
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
  • penduletin
CAS Number(s)
  • 569-80-2
InChIKey YSXFFLGRZJWNFM-UHFFFAOYSA-N
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