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
3.2263 0.8543 -0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 0.7765 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0112 0.0520 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9323 -0.4835 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 -0.0561 0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2394 -0.7229 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9293 -0.0528 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1985 -0.7104 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1934 -1.2442 -1.0944 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 0.4104 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1410 1.3819 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 1.2444 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -1.8024 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9572 -0.6716 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2110 1.0030 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2635 0.0213 -1.3570 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