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
   -3.2696   -0.4105   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3879    0.5323   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688    0.2835   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105   -0.9417    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715   -1.1160    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -0.0721    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873    1.1502   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634    1.3371   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -0.2534    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0466    0.7199    0.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291   -1.4918    0.5156 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
   -4.3502   -0.2404   -0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9630   -1.4144    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082    1.5336   -0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -1.7968    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576   -2.1149    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082    1.9691   -0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4673    2.3263   -0.5129 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