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
   -3.2149    0.6905   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032   -0.3071   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546   -0.2190   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071    0.9924   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    1.0677   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8344   -0.0724   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958   -1.3147    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -1.3330   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    0.0347    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    1.1672    0.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0221   -1.1039    0.2720 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
   -4.2763    0.5433   -0.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449    1.6990   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8550   -1.3176   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    1.9152   -0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5297    2.0550   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -2.2004    0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737   -2.2970   -0.0684 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