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
2.8503 -2.0097 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6861 -1.8329 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0343 -0.5347 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6108 0.4227 -1.0551 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1850 -0.2814 0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7952 0.9981 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 0.8617 0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7741 2.1883 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2930 3.2156 0.9059 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3238 -1.1656 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3699 -2.9412 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2266 -2.6851 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1711 1.7746 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0737 1.3123 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 0.1060 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 0.5711 1.9113 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