Ethyl (7-Oxo-1,3,5-Cycloheptatrien-1-Yl)Carbamate

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Properties Simple | Detailed

Formula C10H11NO3
IUPAC Name ethyl n-(7-oxocyclohepta-1,3,5-trien-1-yl)carbamate
Molecular Mass 193.199 g·mol−1
Heat of Formation -349.7 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 227.05 Å 3
Surface Area 225.62 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-cycloheptatriene-1-carbamic acid, 7-oxo-, ethyl ester
  • 7-oxo-1,3,5-cycloheptatriene-1-carbamic acid ethyl ester
  • ay-25674
  • ethyl n-(7-oxo-1-cyclohepta-1,3,5-trienyl)carbamate
  • n-(2-troponyl)ethylurethan
  • n-(7-keto-1-cyclohepta-1,3,5-trienyl)carbamic acid ethyl ester
  • n-(7-oxo-1-cyclohepta-1,3,5-trienyl)carbamic acid ethyl ester
CAS Number(s)
  • 18188-87-9
InChIKey ZDMKAROHCJCELW-UHFFFAOYSA-N
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