8-Geranyloxy Psoralen

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Properties Simple | Detailed

Formula C21H22O4
IUPAC Name 9-[(2e)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Molecular Mass 338.397 g·mol−1
Heat of Formation -382.9 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 418.7 Å 3
Surface Area 344.27 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-
  • 9-(3,7-dimethylocta-2,6-dienoxy)-7-furo[3,2-g]chromenone
  • 9-(3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
  • 9-[(2e)-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g]chromenone
  • 9-[(2e)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CAS Number(s)
  • 71612-25-4
InChIKey SOVNCTNQAWWYAQ-OQLLNIDSSA-N
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