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
3.3078 0.0208 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1852 -0.6128 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.3287 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9440 0.5260 -1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2111 -0.9877 0.0755 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4034 -0.7304 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8292 0.6920 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0903 1.0080 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0898 1.2647 -1.5461 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3568 0.7658 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2179 -0.1817 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1440 -1.3471 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -1.4447 -0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -0.8575 -1.6999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9197 0.8303 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0774 1.3831 -0.7521 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