Epi-Epoxydone

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Properties Simple | Detailed

Formula C7H8O4
IUPAC Name (1r,2s,6r)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
Molecular Mass 156.136 g·mol−1
Heat of Formation -468.3 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 172.11 Å 3
Surface Area 172.56 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,6r)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • (1r,2s,6r)-2-hydroxy-4-methylol-7-oxabicyclo[4.1.0]hept-3-en-5-one
  • 7-oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1.alpha.,5.alpha.,6.alpha.)-
  • epiepoxydon
  • epoxydon, epi-
  • isomer of epoxydon 93049
InChIKey VTLJDPHPVHSVGR-JHYUDYDFSA-N
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