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
   -3.2205    0.3899    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300   -0.2305   -0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -0.1398   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205   -0.8017   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604   -0.7406   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997   -0.0044    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797    0.6615    1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4563    0.5735    0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.0425    0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.6979    1.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -0.6262   -0.2930 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
   -3.0471    0.9939    0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2839    0.2981   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538   -0.8221   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306   -1.3720   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0855   -1.2675   -1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    1.2189    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278    1.1289    1.4131 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