Monomers
Methyl 2-cyanoacrylate
Identifiers
IUPAC name
methyl 2-cyanoprop-2-enoate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
InchI Key
MWCLLHOVUTZFKS-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C#N
Canonical SMILES
COC(=O)C(=C)C#N
Isomeric SMILES
COC(=O)C(=C)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.2392
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
13 12 0 0 0 0 0 0 0 0999 V2000
2.3377 -0.2672 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1029 -0.5255 -0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0154 0.3260 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1263 1.3351 -0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2124 -0.0015 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2434 0.8077 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3002 -1.1856 1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3584 -2.1536 1.9547 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6272 0.7935 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0950 -0.9241 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1898 -0.4954 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1894 1.6864 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1906 0.6040 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
5 7 1 0
7 8 3 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
6 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers