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
2.5215 1.1006 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2840 0.3199 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0296 -0.3690 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 -1.1124 1.2164 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0507 -0.2172 -0.7458 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1795 -0.8752 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 -0.5093 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2024 0.9267 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4012 2.0564 0.5387 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7506 1.2112 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4676 1.6428 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0873 0.2310 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 -0.6035 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0507 -1.9746 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -0.8060 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 -1.0213 0.5181 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