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
    3.2493    0.0070   -0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3371   -0.4548    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222   -0.2202    0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4578    0.4785   -0.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888    0.6749   -1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200    0.1683   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3381   -0.5356    0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.7343    1.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444    0.3703   -0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0808   -0.0980    0.4508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    1.0767   -1.4526 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
    3.0408    0.5693   -1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041   -0.1702   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6350   -1.0266    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1574    0.9027   -1.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604    1.2359   -1.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -0.9407    1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -1.3032    2.0566 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