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
-0.2615 1.0034 2.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 -0.3489 1.2335 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0469 0.1486 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2239 1.2773 -0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0579 -0.8302 -1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 0.0002 -2.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1758 -2.0053 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 -3.2257 -0.1283 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8360 1.2073 2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4782 0.5675 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 1.6970 1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6132 1.0083 -2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5479 -0.4993 -3.2398 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