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
-2.9766 -0.4370 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0811 0.3094 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 0.5468 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0323 1.2830 1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 0.0246 -0.5377 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8379 0.0690 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0973 -0.5143 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.1270 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9375 0.6430 1.4594 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7579 -0.9158 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 -0.5794 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 0.7914 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1135 1.1078 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6211 -0.4891 -2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9106 -0.3351 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0291 -1.6314 -0.6126 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