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
1.7017 0.8990 2.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2286 -0.1077 2.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7090 0.1801 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6854 1.3721 0.2922 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1878 -0.7151 -0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3410 -1.0634 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 -0.4270 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4404 1.0215 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3014 2.1539 -1.9737 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6931 1.9129 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0957 0.7430 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2471 -1.0804 2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2686 -1.2300 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 -2.1843 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5121 -0.6580 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8500 -0.8166 -2.7455 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