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
    3.2034    0.6988    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039   -0.3302   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.2325   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473   -1.3514   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -1.2446   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -0.0622    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    1.0552    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    0.9348    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    0.0297    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8198    1.1242    0.5490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346   -1.1126    0.0132 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
    2.8796    1.6967    0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842    0.5843   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807   -1.2782   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604   -2.2671   -0.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200   -2.1156   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    2.0179    0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8934    1.8528    0.4363 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