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
1.9806 -1.4830 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2145 -0.3077 -0.1411 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1294 -0.2778 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6740 -1.3473 0.5911 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9558 0.9094 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2309 0.8708 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 2.1217 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1233 3.1261 -0.9023 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7448 -1.2306 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4684 -1.7343 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -2.3391 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8671 1.7353 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6450 -0.0436 0.6549 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