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
-2.8762 0.5750 -1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 0.0684 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7956 0.4426 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2857 1.2547 -1.4697 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0243 -0.0566 0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 0.3731 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0252 -0.2593 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9995 -1.7018 1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 -2.8503 1.3002 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9040 0.2811 -2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4247 1.2719 -2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6842 -0.6388 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 0.0706 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3937 1.4835 0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0702 0.0819 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 0.0437 2.5960 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