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
-3.4768 -0.5479 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 -1.0104 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1929 -0.0700 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 1.1642 0.2344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0996 -0.4982 -0.1275 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0796 0.4889 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 -0.1444 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4251 0.8971 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2414 1.7199 -1.0774 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3221 -1.1947 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6736 0.5136 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -2.0662 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2263 1.1240 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 1.1568 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3826 -0.7562 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 -0.7765 0.1961 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