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
2.4131 -1.7439 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8279 -0.9162 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7925 0.0230 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 0.7823 -1.5909 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 0.0570 0.5323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5322 0.8376 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 0.6284 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3546 0.8752 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7135 1.0840 -1.6827 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1787 -2.4404 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1068 -1.7159 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1605 -0.9658 -2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3306 1.9343 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 0.7557 2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6154 1.2415 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2178 -0.4370 1.0967 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