Acetyl Cyanide

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Properties Simple | Detailed

Formula C3H3NO
IUPAC Name acetyl cyanide
Molecular Mass 69.062 g·mol−1
Heat of Formation -28.6 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 89.51 Å 3
Surface Area 106.69 Å 2
HOMO Energy -11.37 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-oxopropionitrile
  • 2-oxopropanenitrile
  • 2-oxopropionitrile
  • 2-oxopropiononitrile
  • oxopropionitrile
  • oxypropionitrile
  • propanenitrile, 2-oxo-
  • pyruvic acid nitrile
  • pyruvonitrile
CAS Number(s)
  • 631-57-2
InChIKey QLDHWVVRQCGZLE-UHFFFAOYSA-N
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