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
   -3.2844   -0.3557   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    0.4144   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    0.2073   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0054    1.0753   -0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454    0.9449   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -0.0678    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9261   -0.9308    0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445   -0.7946    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859   -0.2215    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392   -1.1433    1.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1960    0.6538   -0.1250 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
   -4.3368   -0.1775   -0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -1.1757    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6528    1.2626   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.8861   -1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    1.6517   -1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039   -1.7359    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1442   -1.4933    1.0043 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