3-((3-(4,5-Dihydro-5,5-Dimethyl-4-Oxo-2-Furanyl)-2-Butenyl)Oxy)-9H-Xanthen-9-One

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Properties Simple | Detailed

Formula C23H20O5
IUPAC Name 3-[(z)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]xanthen-9-one
Molecular Mass 376.402 g·mol−1
Heat of Formation -533.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 441.51 Å 3
Surface Area 393.73 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(z)-3-(4-keto-5,5-dimethyl-2-furyl)but-2-enoxy]xanthone
  • 3-[(z)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]-9-xanthenone
  • 3-[(z)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]xanthen-9-one
  • 3-[(z)-3-(5,5-dimethyl-4-oxo-furan-2-yl)but-2-enoxy]xanthen-9-one
  • 3-[(z)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enoxy]xanthen-9-one
  • 9h-xanthen-9-one, 3-((3-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-butenyl)oxy)-, (e)-
  • ddofbx
CAS Number(s)
  • 102275-60-5
InChIKey VZHBXEAPTCPPMW-UVTDQMKNSA-N
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