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
   -3.2273   -0.6467   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396    0.1222    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9842    0.1115    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071   -0.7358   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902   -0.7357   -0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8433    0.1199    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777    0.9710    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    0.9668    0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3008    0.1354   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9221   -0.6361   -0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0252    1.0167    0.7259 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
   -2.8731   -1.3729   -1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3014   -0.5925   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8802    0.8319    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8575   -1.4330   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186   -1.4074   -1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975    1.6412    1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    1.6434    1.6136 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