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
1.5909 2.4598 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3244 1.4600 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 0.3454 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -0.0467 -1.4399 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5874 -0.4651 0.4867 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 -1.6018 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5161 -1.6834 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9828 -0.1988 1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2899 0.8419 1.3364 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 2.7031 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4561 3.1164 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1083 1.3961 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 -2.5506 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1103 -1.7068 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -2.2026 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8214 -1.8671 -0.4269 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