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
    3.2269   -0.4175   -0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    0.4607   -0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176    0.2493   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753   -0.8445    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8809   -1.0017    0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213   -0.0661    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718    1.0303   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    1.1960   -0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -0.2284    0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5959   -1.2463    1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848    0.7085    0.3340 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
    3.0959   -1.3254    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -0.2043   -0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    1.3537   -1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952   -1.6023    0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -1.8783    1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071    1.7674   -0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107    2.0488   -1.2157 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