Monomers

4-Cyanostyrene

Identifiers

IUPAC name
4-ethenylbenzonitrile
InchI
InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2
InchI Key
SNTUCKQYWGHZPK-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C#N
Canonical SMILES
C=CC1=CC=C(C=C1)C#N
Isomeric SMILES
C=CC1=CC=C(C=C1)C#N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2013
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.9436    0.7417    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657   -0.3115    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -0.2048    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963    0.9951   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    1.0705   -0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.0872   -0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459   -1.2683   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -1.3472    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011   -0.0332   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5297   -0.0049   -1.0338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9969    0.5716    0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061    1.7476    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.2979    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    1.9217    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    2.0171   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -2.1995   -0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561   -2.3108    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  3  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers