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-[(e)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]xanthen-9-one
Molecular Mass 376.402 g·mol−1
Heat of Formation -529.1 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 438.85 Å 3
Surface Area 396.92 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(e)-3-(4-keto-5,5-dimethyl-2-furyl)but-2-enoxy]xanthone
  • 3-[(e)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]-9-xanthenone
  • 3-[(e)-3-(5,5-dimethyl-4-oxo-2-furyl)but-2-enoxy]xanthen-9-one
  • 3-[(e)-3-(5,5-dimethyl-4-oxo-furan-2-yl)but-2-enoxy]xanthen-9-one
  • 3-[(e)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enoxy]xanthen-9-one
InChIKey VZHBXEAPTCPPMW-GXDHUFHOSA-N
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