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
   -3.3212    0.0577    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3367   -0.7301   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328   -0.3534   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677    0.8770    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8979    1.1939    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337    0.2819   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874   -0.9537   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -1.2593   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2454    0.6137   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6706    1.7296    0.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1547   -0.3331   -0.4932 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
   -4.3450   -0.2907    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1085    1.0429    0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   -1.7284   -0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889    1.6136    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    2.1673    0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1271   -1.6835   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -2.2453   -0.7960 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