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
-2.3487 1.8285 1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1145 1.8561 0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6446 0.7692 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4269 -0.1656 -0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6312 0.7417 -0.4815 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1677 -0.2526 -1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1659 -1.5941 -0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7455 -2.5604 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2081 -3.3006 -2.3347 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0082 1.0121 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 2.5860 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4997 2.6895 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6622 -0.2862 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 0.0184 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1306 -1.8513 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8154 -1.4906 0.2749 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