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
    3.2094   -0.2334   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3315    0.6511   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    0.3285   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -0.9243   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482   -1.1879   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014   -0.1988    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763    1.0731    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515    1.3501    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033   -0.4795    0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6384   -1.6339    0.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0701    0.5185    0.8985 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
    2.9168   -1.2454   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376    0.0483   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    1.6801   -0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0173   -1.7436   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -2.1893   -0.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    1.8424    0.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663    2.3441    0.4504 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