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
0.4203 -1.6425 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1165 -1.3050 1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 -0.3588 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6431 0.1012 0.8505 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0694 0.1351 -0.5788 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 1.0444 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8664 0.4766 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 1.4784 -2.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 2.2333 -3.6938 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7855 -2.3319 3.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 -1.2011 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0812 -1.7574 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0611 1.2472 -2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2308 2.0246 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6994 -0.4814 -2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6269 0.3373 -1.1963 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