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
    3.2776    0.2482    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322   -0.6399    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002   -0.3338    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -1.3452    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -1.0835    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7921    0.1972    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916    1.2109   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    0.9311    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280    0.4496    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6334    1.6134   -0.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596   -0.5363    0.2296 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
    3.0829    1.2737    0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279   -0.0358    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -1.6826    0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047   -2.3579    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748   -1.9174    0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346    2.2377   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    1.7706   -0.1042 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