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
1.9140 -0.6350 -2.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6981 -0.2683 -1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3742 -0.4019 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6028 -0.8780 -1.6791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0946 -0.0278 0.2981 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 -0.1844 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2050 0.3129 2.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8118 1.7181 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 2.8292 2.3790 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8933 -0.5341 -3.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1133 -1.0370 -3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4831 0.1387 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9865 0.3158 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 -1.2667 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5022 -0.2869 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2466 0.2057 2.6319 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