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
2.2928 0.4215 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8961 0.4331 0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0586 -0.1416 -0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5476 -0.6978 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 -0.1351 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2056 -0.6228 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 0.4665 1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 0.9742 2.1977 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7957 -0.4576 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 1.2979 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5799 0.5556 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8733 -1.0344 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1922 -1.0595 -1.7568 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