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
   -3.1983    0.7689   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4267   -0.2233   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802   -0.1525   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -1.2741    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1227   -1.2567    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476   -0.1189    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1475    0.9965   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    0.9810   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871   -0.1131    0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220    0.9280    0.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -1.2472    0.7366 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
   -4.2709    0.6763   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7811    1.7307   -0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9119   -1.1694    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -2.1617    0.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -2.1559    0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916    1.9165   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743    1.8750   -0.6317 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