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
2.5937 1.4851 1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8001 1.3034 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 0.2064 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 -0.5824 1.6818 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0048 0.0000 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9044 -1.1065 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7281 -1.1496 -1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 0.0671 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1517 1.0269 -1.9157 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5803 0.8209 2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2769 2.2988 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8420 1.9795 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -1.0313 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 -2.0354 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1038 -1.2531 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 -2.0297 -1.5252 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