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
2.7180 -1.7725 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 -0.9744 -0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8303 -0.8316 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 -1.5528 1.4093 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 0.0255 0.3949 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1148 0.3388 1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 1.2332 0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 2.2791 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1045 3.3010 -0.4732 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4207 -1.9381 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8652 -2.4131 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5461 -0.2976 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4778 -0.5261 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6080 1.0379 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 1.5355 1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8608 0.5553 0.1397 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