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
2.7780 -0.1807 1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 -1.0361 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 -0.6882 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4864 -1.5236 -0.8497 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3871 0.5304 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 0.9412 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9646 0.0554 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 0.5620 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0191 0.9580 -1.6831 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6531 -0.4614 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3534 0.8217 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 -2.0033 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0285 1.9502 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 0.9351 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8005 -0.9856 -0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1682 0.1247 0.7667 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