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
   -3.2316    0.2702    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3956    0.1208   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.0412   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -0.1196   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742   -0.1990   -1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399   -0.1226    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956    0.0351    1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3919    0.1154    0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860   -0.2057    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010   -0.1378    1.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1232   -0.3648   -0.8467 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
   -4.3233    0.3302    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9474    0.3463    1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132    0.0562   -1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372   -0.1783   -2.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515   -0.3238   -2.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377    0.0958    2.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104    0.2404    1.8459 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