Methyl Cyanocarbamate

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Properties Simple | Detailed

Formula C3H4N2O2
IUPAC Name methyl n-cyanocarbamate
Molecular Mass 100.076 g·mol−1
Heat of Formation -198.3 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 117.33 Å 3
Surface Area 132.74 Å 2
HOMO Energy -10.94 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry Cs
Synonyms
  • carbamic acid, cyano-, methyl ester
  • methyl n-cyanocarbamate
  • n-cyanocarbamic acid methyl ester
CAS Number(s)
  • 21729-98-6
InChIKey ZSYJMXLJNPEAGP-UHFFFAOYSA-N
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