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
Resources
cid=

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
    1.5202   -0.5309   -1.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    0.1139   -0.7186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677   -0.6075   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012   -1.7117   -0.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -0.1343    1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5144    0.1985    2.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5312    1.5683    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478    2.7880    0.4606 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1461   -1.3761   -1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605    0.2128   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510   -0.9568   -2.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751   -0.6367    2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    1.0724    2.6679 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