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
-1.3067 -0.6316 1.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8278 -0.5538 0.6367 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 0.2761 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 0.9599 1.1996 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 0.3648 -1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 -0.3498 -2.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8160 1.2377 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7094 1.9274 -1.6646 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7790 0.1133 2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0225 -1.6251 2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3785 -0.4139 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5380 -0.3026 -3.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6273 -1.0023 -1.8027 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