5,7-Dihydroxy-3-(4-Hydroxyphenyl)-8-Methoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H12O6
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-chromen-4-one
Molecular Mass 300.263 g·mol−1
Heat of Formation -764.2 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 321.27 Å 3
Surface Area 294.02 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-4-chromenone
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-4h-1-benzopyran-4-one
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-chromone
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxychromen-4-one
  • isoflavone, 4',5,7-trihydroxy-8-methoxy- (7ci,8ci)
  • isotectorigenin
  • pseudotectorigenin (6ci)
  • psi-tectorigenin
  • smp1_000231
CAS Number(s)
  • 13111-57-4
InChIKey UYLQOGTYNFVQQX-UHFFFAOYSA-N
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