2-[(1R,2R,4R,7R)-3,8-Dioxatricyclo[5.1.0.0~2,4~]Oct-5-En-5-Yl]-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C11H8O4
IUPAC Name 2-[(1r,2r,4r,7r)-3,8-dioxatricyclo[5.1.0.0 2,4 ]oct-5-en-5-yl]-4h-pyran-4-one
Molecular Mass 204.179 g·mol−1
Heat of Formation -166.8 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 221.21 Å 3
Surface Area 212.67 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,2beta,4beta,7alpha)-(-)-2-(3,8-dioxatricyclo(5.1.0.0(2,4))oct-5-en-5-yl)-4h-pyran-4-one
  • 4h-pyran-4-one, 2-(3,8-dioxatricyclo(5.1.0(sup 2,4))oct-5-en-5-yl)-, (1-alpha,2-beta,4-beta,7-alpha)-(-)-
  • antibiotic ll-z 1220
  • ll-z 1220
CAS Number(s)
  • 36431-52-4
InChIKey WWHMQTDCCWMKQY-GWOFURMSSA-N
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