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
   -3.2258   -0.7955   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    0.0931    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9555    0.0834    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789    1.0632    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987    1.1266    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100    0.1782   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715   -0.8153   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124   -0.8431   -0.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    0.2149   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -0.6349   -1.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253    1.2117    0.1885 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
   -4.2874   -0.7202    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527   -1.5981   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8396    0.8743    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385    1.8299    1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    1.9013    1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533   -1.5478   -1.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8675   -1.6216   -1.0757 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