Monomers

Sodium 4-vinylbenzoate

Identifiers

IUPAC name
sodium;4-ethenylbenzoate
InchI
InChI=1S/C9H8O2.Na/c1-2-7-3-5-8(6-4-7)9(10)11;/h2-6H,1H2,(H,10,11);/q;+1/p-1
InchI Key
ZPAICLPTNKAJHB-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)C(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)C(=O)[O-].[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H7NaO2
Heavy Atom Count
12
Molecular Weight
170.143
Exact Molecular Weight
170.0344
Valence Electrons
56
Radical Electrons
0
tPSA
40.13
MolLogP
-2.3029
H Bond Acceptors
2
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

 19 18  0  0  0  0  0  0  0  0999 V2000
   -3.2268   -0.1340    0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4057   -0.2555   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -0.1146   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    0.1579    0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691    0.2829    1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    0.1342   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894   -0.1392   -1.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -0.2631   -1.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989    0.2629   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303    0.1134   -1.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124    0.5368    1.1653 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -2.8603    0.0797    1.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3040   -0.2370    0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8472   -0.4719   -1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722    0.2833    1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    0.4986    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -0.2551   -2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -0.4795   -2.2743 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  2  0
  9 11  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
M  CHG  2  11  -1  12   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers