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
2.5691 0.6615 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7447 -0.2582 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 -0.2905 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4256 -1.1791 -1.2833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.6632 0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4084 0.7270 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7391 -0.5335 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7958 -0.6693 2.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 -0.7710 3.2975 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5906 0.6693 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2392 1.4107 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 -1.0201 -1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1328 0.8631 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4491 1.5614 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6842 -1.4079 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7765 -0.4265 1.6932 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