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
   -3.2592    0.3976    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -0.4392   -0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123   -0.2519   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4226    0.8553    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606    1.0118    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8276    0.0600    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953   -1.0325   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551   -1.2327   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918    0.2134    0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0774   -0.6415   -0.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7614    1.3367    0.9595 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
   -4.2994    0.1400   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    1.3109    0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6822   -1.3329   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842    1.6176    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355    1.8810    1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882   -1.7858   -0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549   -2.1078   -1.2116 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