Bergamottin

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Properties Simple | Detailed

Formula C21H22O4
IUPAC Name 4-[(2e)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Molecular Mass 338.397 g·mol−1
Heat of Formation -405.9 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 420.03 Å 3
Surface Area 343.1 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3,7-dimethylocta-2,6-dienoxy)-7-furo[3,2-g]chromenone
  • 4-(3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
  • 4-([(2e)-3,7-dimethyl-2,6-octadienyl]oxy)-7h-furo[3,2-g]chromen-7-one
  • 4-[(2e)-3,7-dimethylocta-2,6-dienoxy]-7-furo[3,2-g]chromenone
  • 4-[(2e)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
  • 5-geranoxypsoralen
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 4-((3,7-dimethyl-2,6-octadienyl)oxy)-, (e)-
  • bergamotine
  • bergaptin
  • tnp00285
CAS Number(s)
  • 7380-40-7
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
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