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
-1.8402 -1.7038 2.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 -0.6412 1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5403 -0.8199 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1530 -1.9560 0.1805 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0817 0.2638 -0.1785 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7740 0.0432 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 1.4208 -1.8641 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7543 2.2208 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2757 2.8329 0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5197 -2.6897 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5056 -1.6140 3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7202 0.3625 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2671 -0.5534 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6994 -0.4723 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1698 1.9653 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 1.3410 -2.7311 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