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
   -3.2876    0.4223    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.4624    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9434   -0.2464    0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421   -1.2737    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3126   -1.0863    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299    0.0794   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443    1.0839   -0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325    0.9189   -0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    0.2152   -0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7010    1.3164   -0.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617   -0.7708   -0.0838 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
   -3.0224    1.3761   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.2042    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499   -1.4391    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952   -2.2090    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294   -1.8741    0.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942    2.0255   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    1.7198   -0.5618 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