(3R)-7-Hydroxy-3-(6-Hydroxy-1,3-Benzodioxol-5-Yl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H12O6
IUPAC Name (3r)-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chroman-4-one
Molecular Mass 300.263 g·mol−1
Heat of Formation -745.2 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 320.7 Å 3
Surface Area 290.36 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-sophorol
  • (3r)-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-4-chromanone
  • (3r)-7-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chroman-4-one
InChIKey FAPWSAQOVOBPCP-NSHDSACASA-N
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