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
2.3164 -0.3020 -2.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2663 0.1827 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7591 -0.3895 -0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -1.3874 -0.3531 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3350 0.1016 -0.1584 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 -0.5177 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9861 0.1959 1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5613 1.5898 1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 2.6709 2.0486 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 -1.1521 -2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 0.1292 -3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 1.0499 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0584 -1.5607 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 -0.5222 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7766 0.1699 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2651 -0.2581 2.5777 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