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
-3.1519 -0.2645 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2237 -1.0827 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 -0.6579 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0037 -1.5049 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4021 0.5982 0.1751 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9450 0.9881 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8656 0.1401 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 0.5977 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3517 0.9765 -0.2774 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8663 0.7313 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1748 -0.5640 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 -2.0825 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1009 2.0595 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 0.7737 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 0.2185 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 -0.9271 -0.2909 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