chempirical

Ethyl cyanoformate

C4H5NO2CAS 623-49-499.09 g/mol

Open in Covalent MOL file
OON
EsterNitrile

Properties

Molecular formula
C4H5NO2
Molar mass
99.09 g/mol
Exact mass
99.0320 Da
Density
1.0112 g/mL (at 20 °C)
Boiling point
115.5 °C
logP
0.07Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
623-49-4
SMILES
CCOC(=O)C#N
InChIKey
MSMGXWFHBSCQFB-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Carbonocyanidic acid, ethyl ester
  • Formic acid, cyano-, ethyl ester
  • Ethoxycarbonyl cyanide
  • Cyanoformic acid ethyl ester
  • NSC 65347
  • Cyanocarbonyloxyethane
  • Ethyl carbonocyanidate
  • 2-Ethoxy-2-oxoacetonitrile

Work with Ethyl cyanoformate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl acetylenedicarboxylate762-21-063 % similar Ethyl propiolate623-47-256 % similar Ethyl 2-butynoate4341-76-854 % similar Ethyl 2-pentynoate55314-57-352 % similar Ethyl cyanoacrylate7085-85-052 % similar Methyl cyanoformate17640-15-250 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-348 % similar Ethyl phenylpropiolate2216-94-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxy-5-methylisoxazole10004-44-1 Methyl cyanoacetate105-34-0 Succinimide123-56-8 Methyl isocyanoacetate39687-95-1

Elsewhere

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