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
-2.5912 1.4857 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4368 1.3041 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 0.6962 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0689 0.5206 -2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 0.2958 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9545 -0.2852 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 -0.6557 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -1.2561 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 -1.7386 -0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4866 1.9334 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8195 1.1865 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2188 1.6087 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 -1.2026 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4630 0.4508 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2865 0.2738 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4638 -1.3657 1.3154 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