Isocyanocyclohexane

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Properties Simple | Detailed

Formula C7H11N
IUPAC Name isocyanocyclohexane
Molecular Mass 109.169 g·mol−1
Heat of Formation 90.0 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 158.43 Å 3
Surface Area 156.24 Å 2
HOMO Energy -10.85 ± 0.55 eV
LUMO Energy 5.54 ± eV
Point Group Symmetry Cs
Synonyms
  • cyclohexane, isocyano-
  • cyclohexaneisonitrile
  • cyclohexyl isocyanide
  • cyclohexyl isonitrile
  • cyi
  • n-cyclohexylisocyanide
CAS Number(s)
  • 931-53-3
InChIKey XYZMOVWWVXBHDP-UHFFFAOYSA-N
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DOI
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Elements H C N