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
   -3.2375    0.2900    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898   -0.5241   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.2731   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3512    0.8144    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    1.0383    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8173    0.1245   -0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -0.9852   -0.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949   -1.1699   -0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482    0.3435   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7707    1.3342    0.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -0.5673   -1.0554 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
   -4.3193    0.0953    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325    1.1810    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642   -1.4102   -0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507    1.5472    0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    1.8950    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8958   -1.7039   -1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -2.0297   -1.4021 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