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
    3.2536   -0.4583   -0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.3470    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830    0.1867    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3234   -0.7957   -0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592   -0.9106   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503   -0.0005    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    1.0125    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    1.0959    0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2909   -0.1155   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8078   -1.0360   -0.6834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0837    0.7895    0.6370 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
    2.8662   -1.2784   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3354   -0.3469   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8233    1.1595    0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9074   -1.5377   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337   -1.7165   -1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579    1.7221    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    1.8828    1.3464 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