3-Methoxypropionitrile

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Properties Simple | Detailed

Formula C4H7NO
IUPAC Name 3-methoxypropanenitrile
Molecular Mass 85.104 g·mol−1
Heat of Formation -80.2 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 118.48 Å 3
Surface Area 132.85 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-methoxypropionitrile
  • .beta.-methyoxypropionitrile
  • 1-cyano-2-methoxyethane
  • 2-cyanoethyl methyl ether
  • 3-methoxypropiononitrile
  • 3-methoxypropylnitrile
  • beta-methoxypropionitrile
  • beta-methyoxypropionitrile
  • methyl beta-cyanoethyl ether
  • propanenitrile, 3-methoxy-
  • propionitrile, 3-methoxy-
  • propionitrile, 3-methoxy- (8ci)
CAS Number(s)
  • 110-67-8
InChIKey OOWFYDWAMOKVSF-UHFFFAOYSA-N
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