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
   -3.2536    0.3456   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -0.4386    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -0.2616    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232    0.7717   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373    0.9455   -0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    0.0682    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3356   -0.9844    0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0221   -1.1411    0.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2407    0.2433   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596   -0.5363    0.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428    1.3008   -0.9165 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
   -3.0042    1.2024   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191    0.1198    0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773   -1.2747    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542    1.5021   -0.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    1.7861   -1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928   -1.6945    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -1.9545    1.4839 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