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
    2.7503    0.7881   -1.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339    0.6152   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9641    0.2501   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    0.0489   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -0.2990   -0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851   -0.4622    0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -0.2610    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944    0.0827    1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0432   -0.8258    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9408   -1.0061    0.1579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3738   -0.9828    2.3427 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
    3.7751    1.0609   -1.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0864    0.6655   -2.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504    0.7531    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2105    0.1688   -2.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867   -0.4484   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666   -0.3892    2.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    0.2413    1.9528 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