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
    3.2754    0.3168    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752   -0.6311    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9452   -0.3391    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071   -1.3653   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434   -1.1259    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    0.1505    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341    1.1761    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    0.9214    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2810    0.4028    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866   -0.5396    0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7424    1.6844    0.4918 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
    3.0680    1.3557    0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.0313    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480   -1.6737   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -2.3703   -0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0637   -1.9525   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    2.1967    0.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7616    0.4102 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