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
    3.2518    0.4741   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2135    0.8723    0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    0.4199    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.9082    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    0.4770    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -0.4078   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -0.8712   -0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889   -0.4659   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450   -0.8339   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4263   -1.6400   -1.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803   -0.3595    0.3427 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
    4.2459    0.8270    0.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643   -0.2133   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817    1.5790    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481    1.6171    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    0.8497    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -1.5737   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -0.8787   -1.3783 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