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
   -3.2729   -0.1153   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575   -0.8731    0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -0.4493    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.8648    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7909    1.2434    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064    0.3577    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443   -0.9531    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257   -1.3459    0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    0.7849    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880   -0.0513    0.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    2.1050    0.2212 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
   -3.1535    0.9379   -0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -0.4746   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795   -1.9345    0.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709    1.6444   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    2.2932   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -1.6466    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1266   -2.3874    0.7490 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