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
3.0962 -0.9108 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8522 -0.9278 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8570 0.0479 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1231 0.9783 -0.4684 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 -0.0657 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4906 0.7790 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 0.8051 -0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1867 -0.5475 -1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 -1.6108 -1.7494 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -0.1522 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7892 -1.6423 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5822 -1.7394 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3785 0.4300 1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 1.8399 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 1.2127 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6672 1.5036 -1.1537 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