3-Methyl-3-(2-Cyanoethoxy)-1-Butyne

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Properties Simple | Detailed

Formula C8H11NO
IUPAC Name 3-(1,1-dimethylprop-2-ynoxy)propanenitrile
Molecular Mass 137.179 g·mol−1
Heat of Formation 102.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 175.05 Å 3
Surface Area 171.96 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,1-dimethylprop-2-ynoxy)propionitrile
  • 3-(2-methylbut-3-yn-2-yloxy)propanenitrile
  • propanenitrile, 3-((1,1-dimethyl-2-propynyl)oxy)-
CAS Number(s)
  • 15496-08-9
InChIKey BRMRUCOZUIVFCW-UHFFFAOYSA-N
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