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
2.1868 -2.3032 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0707 -1.0316 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 -0.4483 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2374 -1.1812 -0.3945 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5908 0.9032 -0.1568 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6889 1.3795 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3739 0.8006 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7052 1.4494 1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7424 1.9597 1.4561 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1425 -2.7311 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 -3.0007 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9293 -0.3915 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3609 1.3328 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 2.4881 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5505 -0.2686 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 1.0430 2.1980 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