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
3.1279 0.8348 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0340 0.8518 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7420 0.3333 0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 0.4574 1.7928 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 -0.2852 -0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6611 -0.8268 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 0.0650 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0298 -0.7772 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9177 -1.4378 -1.5149 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0597 0.8203 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 0.1271 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9679 1.3739 2.4172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9156 -1.8095 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5039 -1.0662 -1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8215 0.9149 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 0.4242 0.3212 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