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
    3.2392    0.4029    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -0.4500   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9629   -0.2643   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418    0.8223    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.9697    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603    0.0536   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -1.0443   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -1.1985   -0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016    0.2145   -0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0549   -0.6080   -0.7208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8655    1.3198    0.4216 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
    4.3073    0.2039    0.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9524    1.3109    1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.3283   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    1.5758    1.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196    1.8389    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8872   -1.7608   -1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -2.0580   -1.1458 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