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
   -2.9586   -1.3778   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785   -0.2567   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720   -0.0207   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562   -0.9953    0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   -0.7272    0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363    0.5051    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    1.4875   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266    1.2231   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616    0.7638    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    1.8755   -0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2136    0.7846 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
   -2.4133   -2.2018    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265   -1.5459   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0087    0.5435   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870   -1.9763    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.5014    0.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    2.4246   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    1.9936   -0.9741 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