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
   -3.2275   -0.4407    0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -0.4968   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.2142   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4278    0.1383    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    0.3942    1.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8152    0.3186    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153   -0.0344   -1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329   -0.2937   -1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416    0.5872    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137    0.5044   -0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    0.9481    1.4166 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
   -4.2815   -0.6699    0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236   -0.1826    1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641   -0.7683   -1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819    0.2142    1.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    0.6692    2.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939   -0.1030   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347   -0.5707   -2.2505 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