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
3.0736 -0.9346 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1830 -1.0172 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9951 -0.2006 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7745 0.6225 1.3948 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0772 -0.3140 -0.5533 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 0.5074 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9643 0.2520 -1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 1.1423 -1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0289 1.8600 -1.5147 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9493 -0.2392 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9602 -1.5392 1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3497 -1.7166 -0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6768 0.2814 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8129 1.5880 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2569 -0.8065 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4225 0.5142 -2.6523 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