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
2.9177 0.9781 -1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7722 0.3534 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9250 0.5404 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3023 1.3066 0.5777 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2958 -0.0874 -0.2003 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0325 0.1680 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3439 -0.5928 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 -2.0366 0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9380 -3.1849 0.8718 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2193 1.6262 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5836 0.8830 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4679 -0.2929 -2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4293 -0.2652 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1551 1.2254 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0116 -0.3182 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8530 -0.3031 1.9455 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