8-[(2R)-2,3-Dihydroxy-3-Methylbutyl]-5,7-Dimethoxy-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C16H21O6+
IUPAC Name 8-[(2r)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-chromen-2-one
Molecular Mass 309.334 g·mol−1
Heat of Formation -999.9 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 364.25 Å 3
Surface Area 316.85 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[(2r)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-chromen-2-one
  • 8-[(2r)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-coumarin
  • 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2-chromenone
  • 8-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
CAS Number(s)
  • 18196-00-4
InChIKey JVCJUTNJQMKKCK-CYBMUJFWSA-N
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