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
   -3.1723    0.9132   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -0.1730   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941   -0.1449   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2809   -1.3486    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931   -1.3603    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   -0.1999    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1596    0.9972   -0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    0.9997   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3117   -0.2485    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9129   -1.3376    0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481    0.9206    0.0524 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
   -2.7501    1.9038   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611    0.8925   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9508   -1.1391   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616   -2.2553    0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.2887    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    1.9221   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    1.9466   -0.0755 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