chempirical

2-Cyanoethyl acrylate

C6H7NO2CAS 106-71-8125.13 g/mol

Open in Covalent MOL file
OON
AlkeneEsterNitrile

Properties

Molecular formula
C6H7NO2
Molar mass
125.13 g/mol
Exact mass
125.0477 Da
Density
2.07 g/mL
Boiling point
108 °C (at 12 Torr)
logP
0.63Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
106-71-8
SMILES
C=CC(=O)OCCC#N
InChIKey
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 2-cyanoethyl ester
  • Acrylic acid, ester with hydracrylonitrile
  • Hydracrylonitrile, acrylate (ester)
  • 2-Cyanoethyl propenoate
  • NSC 18593
  • 2-Cyanoethyl prop-2-enoate

Work with 2-Cyanoethyl acrylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Polyethylene glycol diacrylate26570-48-963 % similar 1,4-Butylene glycol diacrylate1070-70-859 % similar 1,6-Hexanediol diacrylate13048-33-457 % similar Oxydiethylene diacrylate4074-88-857 % similar Chloroethyl acrylate2206-89-553 % similar 2-Bromoethyl acrylate4823-47-653 % similar Hydroxyethyl acrylate818-61-153 % similar Methoxyethyl acrylate3121-61-752 % similar

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

Same formula

4-Methoxypyridine N-oxide1122-96-9 Methyl 2-pyrrolecarboxylate1193-62-0 N-Ethylmaleimide128-53-0 2-Propen-1-yl 2-cyanoacetate13361-32-5 3-Methoxy-2(1H)-pyridinone20928-63-6 2-Aminoresorcinol3163-15-3 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-7 Methyl 1-pyrrolecarboxylate4277-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook