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
    2.9011    0.1593   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0702   -0.6772   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.3555   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -1.2918    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419   -0.9768    0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9354    0.2927    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    1.2440   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968    0.9003   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792    0.6142    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844    0.8952    1.1141 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729    1.1599   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173   -0.1683   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -1.7041   -0.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707   -2.2924    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856   -1.7346    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    2.2384   -0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956    1.6969   -0.8106 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