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
    3.0345    0.8323    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    0.5039   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9548    0.1893   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -0.1551   -1.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0202   -0.4644   -1.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433   -0.4271   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613   -0.0942    0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    0.2056    0.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.7430   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7135   -1.0485   -1.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039   -0.7139    0.9469 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
    2.5813    0.8948    1.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    1.0704    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.4619   -1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848   -0.1818   -2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -0.7338   -2.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7218   -0.0627    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.4664    1.9473 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