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
   -3.2338    0.6172    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3706   -0.3647    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9391   -0.2261    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -1.3310    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523   -1.2373   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137   -0.0251   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116    1.1085   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435    0.9854   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    0.0865   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7801    1.2128   -0.8224 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.0329   -0.5207 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
   -2.9032    1.6171    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2749    0.4404    0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7578   -1.3545    0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -2.2820    0.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -2.1663   -0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791    2.0767   -0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284    1.8754   -0.2537 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