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
   -3.1566   -0.7594   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828    0.2819   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9440    0.2087   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091   -0.9978   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -1.0824   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681    0.1107   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623    1.3410   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    1.3875   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405    0.0822    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9213    1.1366    0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9345   -1.1156    0.1567 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
   -4.2465   -0.6750   -0.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7721   -1.7635   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998    1.2600   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168   -1.9509   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5971   -2.0315    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7671    2.2409   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    2.3268   -0.3340 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