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
-2.9990 0.1010 -1.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 -0.3324 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9710 0.3469 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 1.3672 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 -0.1288 -0.1538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0267 0.5892 0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3876 -0.0413 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 -1.4157 1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1643 -2.5220 1.9199 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3848 0.9744 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5875 -0.4079 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 -1.2168 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.5030 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1487 1.6133 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9430 -0.0462 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9023 0.6162 1.8115 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