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
   -3.2619   -0.1494   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2570    0.1939   -0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607    0.2218   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    0.5958   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    0.6243   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    0.2587    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923   -0.1235    1.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -0.1327    0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    0.2862    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4515   -0.0398    1.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294    0.6667   -0.1259 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
   -3.2016   -0.4580    0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2789   -0.1391   -0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725    0.4841   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1571    0.8674   -2.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635    0.9205   -1.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889   -0.4005    2.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.4365    1.5639 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