3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-8-Methoxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H12O7
IUPAC Name 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromen-4-one
Molecular Mass 316.262 g·mol−1
Heat of Formation -927.7 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 337.2 Å 3
Surface Area 302.21 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-chromenone
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4h-1-benzopyran-4-one
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-chromone
  • 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one
  • 4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-
  • herbacetin 8-methyl ether
  • sexangularetin
CAS Number(s)
  • 571-74-4
InChIKey AZFYHRHUTXBGJS-UHFFFAOYSA-N
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