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
   -3.2554   -0.3831    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632    0.5539    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    0.3051    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645    1.3718   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918    1.1564   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.0930   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -1.1482    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712   -0.9474    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -0.3075   -0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0437    0.6471   -0.5048 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7847   -1.5840   -0.2173 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
   -2.9836   -1.4189    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195   -0.1756    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7073    1.5737    0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035    2.3489   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    2.0387   -0.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -2.1528    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0256   -1.7852    0.3174 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