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
    3.2806    0.1577    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413   -0.5327   -0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339   -0.2826   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4674    0.6747    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    0.8881    0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8507    0.1419    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983   -0.8307   -0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -1.0323   -0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.3776    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1857   -0.2605   -0.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6324    1.3653    1.2938 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
    4.3517   -0.0344   -0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299    0.9506    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337   -1.3028   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874    1.2890    1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332    1.6519    1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1386   -1.4270   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246   -1.7937   -1.6153 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