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
   -3.2036   -0.7001    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3963    0.3112    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.2111    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    1.3351    0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    1.2552    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393    0.0770    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -1.0292   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418   -0.9679    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    0.0165   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0047    1.0403   -0.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -1.1935   -0.5103 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
   -2.8957   -1.6939    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2649   -0.5685    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    1.2787    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266    2.2800    0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    2.1695    0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -1.9566   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9285   -1.8649   -0.1339 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