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
   -3.2405    0.5744    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834   -0.3158   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -0.1946   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420    0.9079    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448    1.0033    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246   -0.0305   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284   -1.1537   -0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512   -1.2300   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    0.0729    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659    1.0796    0.5184 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0698   -0.9591   -0.4235 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
   -2.9405    1.5156    0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140    0.4396    0.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141   -1.2376   -0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    1.7191    0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4815    1.8949    0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.9489   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -2.1370   -1.0043 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