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
-3.0367 1.3533 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9564 0.6065 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0513 0.5371 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3148 1.2105 0.8250 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0883 -0.2392 -0.2131 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9480 -0.2817 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1300 -1.1970 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9604 -1.1791 1.8723 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6409 -1.1780 2.8329 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 1.3893 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2462 1.9226 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7312 0.0309 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 0.7191 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4338 -0.6299 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6963 -0.8206 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 -2.2439 0.4917 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