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
-3.3059 0.6541 0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1582 0.9091 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1000 -0.1159 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2789 -1.2439 0.8644 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1247 0.1291 -0.2696 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 -0.9011 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3602 -0.4309 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9509 0.7488 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4334 1.6924 0.1453 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4732 -0.3035 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0732 1.3835 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9780 1.8645 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4035 -1.1885 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 -1.7937 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0766 -1.2762 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1392 -0.1278 -2.0369 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