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
   -3.3039    0.3414    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890   -0.5702   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9434   -0.3267   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    0.9340    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639    1.1537    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8624    0.1155    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207   -1.1581   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400   -1.3701   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    0.3376    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453   -0.5729   -0.0362 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378    1.6360    0.2024 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
   -3.0314    1.3762    0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3598    0.1258   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459   -1.6112   -0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659    1.7798    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    2.1677    0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372   -1.9760   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446   -2.3825   -0.2630 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