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
3.1818 1.3299 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4300 0.2820 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9857 0.4448 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 1.5757 0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -0.6494 0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1865 -0.6059 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8791 -0.0699 -0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 -0.0351 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4925 0.0079 -0.1724 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7628 2.3230 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2493 1.2222 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8790 -0.6965 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4628 -0.0375 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5823 -1.6417 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -0.8146 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 0.8967 -0.8998 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