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
   -3.2818    0.2123    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3574    0.0597   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413    0.1161   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072   -0.0536   -1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347   -0.0086   -1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8350    0.2082    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    0.3776    1.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525    0.3335    0.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784    0.2477    0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907    0.4419    1.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1399    0.0702   -0.6661 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
   -3.1128    0.3914    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486    0.1644    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6675   -0.1150   -1.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371   -0.2282   -2.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -0.1421   -1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    0.5490    2.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384    0.4734    1.7892 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