Auraptene

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Properties Simple | Detailed

Formula C19H23O3+
IUPAC Name 7-[(2e)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Molecular Mass 299.384 g·mol−1
Heat of Formation -370.4 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 382.55 Å 3
Surface Area 322.56 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (e)-
  • 2h-1-benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (e)-
  • 7-(3,7-dimethylocta-2,6-dienoxy)-2-chromenone
  • 7-(3,7-dimethylocta-2,6-dienoxy)chromen-2-one
  • 7-(3,7-dimethylocta-2,6-dienoxy)coumarin
  • 7-[(2e)-3,7-dimethylocta-2,6-dienoxy]-2-chromenone
  • 7-[(2e)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
  • 7-[(2e)-3,7-dimethylocta-2,6-dienoxy]coumarin
  • 7-geranyloxycoumarin
  • acon1_000071
  • coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (e)-
  • megxp0_000091
CAS Number(s)
  • 495-02-3
InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N
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