(3R)-Vestitone

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Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (3r)-7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one
Molecular Mass 286.279 g·mol−1
Heat of Formation -665.9 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 317.71 Å 3
Surface Area 290.21 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-vestitone
  • (3r)-7-hydroxy-3-(2-hydroxy-4-methoxy-phenyl)chroman-4-one
  • (3r)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-chromen-4-one
  • (3r)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4-chromanone
  • (3r)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chroman-4-one
  • 2,3-dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one
  • vestitone
CAS Number(s)
  • 158112-50-6
InChIKey WQCJOKYOIJVEFN-ZDUSSCGKSA-N
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