Monomers
2-Cyanoethyl acrylate
Identifiers
IUPAC name
2-cyanoethyl prop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InchI Key
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCC#N
Canonical SMILES
C=CC(=O)OCCC#N
Isomeric SMILES
C=CC(=O)OCCC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
16 15 0 0 0 0 0 0 0 0999 V2000
-0.1910 -0.7637 -3.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5824 0.0792 -2.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4636 -0.2214 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0418 -1.3499 -0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8538 0.6171 0.2156 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 0.2283 1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 -0.0284 1.9603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4826 1.2241 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0609 2.2242 1.5866 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2604 -0.5818 -4.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2471 -1.7408 -2.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0052 1.0229 -2.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3119 -0.7006 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 1.0375 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7077 -0.1790 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2086 -0.8674 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
2 12 1 0
6 13 1 0
6 14 1 0
7 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers