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
   -3.2091   -0.4185    0.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330    0.1953   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9872    0.1259   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813    0.7911   -1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817    0.7397   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499    0.0336   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -0.6256    0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -0.5862    0.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3058   -0.0067    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565   -0.6332    0.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    0.6920   -0.9399 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
   -2.8206   -1.0066    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3012   -0.3594    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720    0.7716   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    1.3534   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    1.2676   -1.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541   -1.1983    1.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890   -1.1356    1.5644 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