6-[(2R)-2,3-Dihydroxy-3-Methylbutyl]-7-Methoxy-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C15H19O5+
IUPAC Name 6-[(2r)-2,3-dihydroxy-3-methyl-butyl]-7-methoxy-chromen-2-one
Molecular Mass 279.308 g·mol−1
Heat of Formation -822.9 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 332.64 Å 3
Surface Area 296.42 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(2r)-2,3-dihydroxy-3-methyl-butyl]-7-methoxy-chromen-2-one
  • 6-[(2r)-2,3-dihydroxy-3-methyl-butyl]-7-methoxy-coumarin
  • 6-[(2r)-2,3-dihydroxy-3-methylbutyl]-7-methoxy-2-chromenone
  • 6-[(2r)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one
CAS Number(s)
  • 28095-18-3
InChIKey BNLKKFPQJANWMM-CYBMUJFWSA-N
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