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
2.6539 -2.0819 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3225 -0.8124 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9081 -0.4317 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0279 -1.3008 0.4715 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4892 0.8778 0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8392 1.3170 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7574 0.7105 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 1.2337 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1712 1.6457 -0.4479 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6710 -2.4145 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9061 -2.8437 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1010 -0.0866 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 2.4232 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2834 1.1196 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7022 -0.3909 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4117 1.0349 -1.8198 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