(1R,2R,3S,6S,7S)-5-Oxo-4-Oxatricyclo[5.2.1.0~2,6~]Dec-8-En-3-Yl Methylcarbamate

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Formula C11H13NO4
IUPAC Name (1r,2r,3s,6s,7s)-5-oxo-4-oxatricyclo[5.2.1.0 2,6 ]dec-8-en-3-yl methylcarbamate
Molecular Mass 223.225 g·mol−1
Heat of Formation -564.9 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 249.52 Å 3
Surface Area 235.67 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 3.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3r*,3ar*,4s*,7r*,7as*)-1,3,3a,4,7,7a-hexahydro-1-oxo-4,7-methano-3-isobenzofuranyl n-methylcarbamat
  • lu 253
  • methylcarbamic acid, ester with (3r*,3ar*,4s*,7r*,7as*)-3a,4,7,7a-tetrahydro-3-hydroxy-4,7-methanoisobenzofuran-1(3h)-one
InChIKey ZMXUEEVRCMPQPF-UTABRTIASA-N
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