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
2.7729 -1.5729 0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6776 -1.1473 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -0.1323 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1764 0.3373 -0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3099 0.3636 1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1177 1.3343 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6717 0.9111 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4697 -0.2816 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 -1.2288 -0.6093 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4180 -2.3205 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0809 -1.1836 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4328 -1.5726 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5577 2.2944 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 1.6067 1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 1.7500 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8744 0.8423 -1.6333 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