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
    3.2271   -0.6575    0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915    0.1453    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002    0.1306    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    1.0111    0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    1.0110    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    0.1207   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606   -0.7583   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -0.7559   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    0.1090   -0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5161   -0.7225   -1.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1502    0.9682   -0.4563 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
    3.0322   -1.4029   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -0.5718    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    0.8863    1.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2991    1.7217    1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    1.6973    0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -1.4622   -1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1539   -1.4701   -0.9764 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