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
    3.0830   -1.0111   -0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -0.3300    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653   -0.1034    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714    0.6420    1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    0.8934    1.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7989    0.4180    0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -0.3046   -0.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.5740   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319    0.6736    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951    1.3434    1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.2035   -0.8797 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
    2.5671   -1.4412   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1630   -1.1389   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891    0.0783    1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018    1.0139    1.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    1.4702    1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150   -0.6840   -1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -1.1492   -1.6384 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