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
2.5481 -0.8022 1.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 0.1715 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8993 -0.0106 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 -1.1079 -0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0713 0.9918 -0.2318 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7757 0.8785 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7720 -0.2503 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5918 0.0169 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2497 0.2458 0.9181 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1631 -0.6481 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -1.7451 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7066 1.1195 1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3648 1.8169 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 0.7808 -2.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2839 -1.2363 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4378 -0.2212 -2.0902 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