Cryptocaryone

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Formula C17H14O4
IUPAC Name (3ar,4z,7as)-4-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3h-benzofuran-2,5-dione
Molecular Mass 282.291 g·mol−1
Heat of Formation -431.2 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 323.66 Å 3
Surface Area 294.96 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4z,7as)-4-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3h-1-benzofuran-2,5-dione
  • (3ar,4z,7as)-4-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3h-benzofuran-2,5-dione
  • (3ar,4z,7as)-4-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3h-benzofuran-2,5-quinone
  • (3ar,4z,7as)-4-[(e)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3h-benzofuran-2,5-dione
InChIKey PTLQMLWEJRHXDU-VHIARPGFSA-N
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