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
1.8941 -2.7413 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7912 -2.1476 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5267 -0.7799 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 -0.1756 0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 -0.0891 -0.9022 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 1.2132 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 1.3976 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3437 2.7704 1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 3.9119 1.5199 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6088 -2.2332 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0998 -3.7448 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0809 -2.6948 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1762 1.9610 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8866 1.4895 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0407 1.1514 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7757 0.7113 1.3518 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