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
    3.1214    0.7946    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    0.0667   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -0.0230   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -0.8270   -1.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659   -0.9520   -1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8021   -0.2628   -0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    0.5485    0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1873    0.6401    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2541   -0.3721   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8089   -1.1098   -0.9951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9916    0.3125    0.8007 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
    4.2017    0.8596    0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6644    1.3809    1.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -0.4883   -0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357   -1.3485   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312   -1.5773   -1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737    1.0726    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559    1.2852    1.5036 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