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
   -2.5606   -1.6387   -0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -0.8146   -1.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032   -0.2393   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693   -0.4850    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.0863    1.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6853    0.9266    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    1.1737   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2511    0.6213   -1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586    1.5271    1.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    1.9895    1.8332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128   -2.0430   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179   -1.9503    0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505   -0.5276   -2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081   -1.1482    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.1375    2.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118    1.8396   -1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    0.8202   -2.2249 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