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
    3.2272    0.5622    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    0.1320    0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817    0.0260    0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5119    0.3641   -0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883    0.2483   -1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -0.2160   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.5555    0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.4457    1.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562   -0.3347   -0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0545   -0.7547   -0.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4471    0.0223   -2.2203 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
    3.1023    0.8635   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173    0.6261    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283   -0.1587    2.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810    0.7397   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    0.5273   -2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852   -0.9301    1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442   -0.7162    2.3199 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