Methyl Cyanoacetate

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Properties Simple | Detailed

Formula C4H5NO2
IUPAC Name methyl 2-cyanoacetate
Molecular Mass 99.088 g·mol−1
Heat of Formation -246.3 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 122.31 Å 3
Surface Area 136.43 Å 2
HOMO Energy -11.45 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-cyanoacetic acid methyl ester
  • cyanoacetic acid, methyl ester
  • methyl 2-cyanoethanoate
  • methyl cyanoethanoate
  • usaf kf-22
CAS Number(s)
  • 105-34-0
InChIKey ANGDWNBGPBMQHW-UHFFFAOYSA-N
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