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
3.2980 0.8082 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 0.7752 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 -0.0366 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 -0.7287 1.4209 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1672 -0.0757 -0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2264 -0.8667 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3987 -0.6847 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7275 0.7398 -0.7176 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0045 1.8533 -0.7152 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1302 1.4032 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4718 0.2432 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0012 1.3496 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5094 -0.5425 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9339 -1.9325 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2625 -1.3074 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0308 -0.9976 -1.7330 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