(1S,5R)-6,8-Dioxabicyclo[3.2.1]Oct-2-En-4-One

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Properties Simple | Detailed

Formula C6H6O3
IUPAC Name (1s,5r)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
Molecular Mass 126.110 g·mol−1
Heat of Formation -352.9 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 135.95 Å 3
Surface Area 140.11 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-6,8-dioxabicyclo(3.2.1)oct-2-en-4-one
  • 1,6-anhydro-3,4-dideoxy-beta-d-glycero-hex-3-enopyranos-2-ulose
  • levoglucosenone
CAS Number(s)
  • 37112-31-5
InChIKey HITOXZPZGPXYHY-UJURSFKZSA-N
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