7-{[(2E,6R)-6,7-Dihydroxy-3,7-Dimethyl-2-Octen-1-Yl]Oxy}-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C19H24O5
IUPAC Name 7-[(e,6r)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]chromen-2-one
Molecular Mass 332.391 g·mol−1
Heat of Formation -795.7 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 412.24 Å 3
Surface Area 369.65 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (r-(e))-7-((6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy)-2h-1-benzopyran-2-one
  • 2h-1-benzopyran-2-one, 7-((6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy)-, (r-(e))-
  • 7-(6',7'-dihydroxygeranyloxy)coumarin
  • 7-[(e,6r)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]chromen-2-one
  • 7-[(e,6r)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]coumarin
  • 7-[(e,6r)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-2-chromenone
  • 7-[(e,6r)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
  • marmin
CAS Number(s)
  • 14957-38-1
InChIKey QYYKWTUUCOTGNS-JIIJFUIFSA-N
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