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
    3.1853    0.8182   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843    0.1775   -0.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222    0.0353   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291   -0.6599   -1.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -0.8204   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -0.3100    0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.3731    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616    0.5403    0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1731   -0.4835    0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0029   -1.0967    0.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888    0.0479    2.0561 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
    4.2092    0.9261   -0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482    1.2523    0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934   -0.2421   -1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224   -1.0646   -2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632   -1.3603   -1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153    0.7794    2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1267    1.0874    1.3987 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