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
   -3.1827   -0.7110   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    0.3266    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9656    0.2028    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942   -0.9747   -0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0745   -1.0673   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8275    0.0839   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.2923    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    1.3455    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791    0.0363   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187    1.1021    0.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430   -1.1605   -0.2792 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
   -4.2809   -0.6259    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8404   -1.7243   -0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668    1.2962    0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536   -1.9171   -0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -2.0092   -0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582    2.2097    0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979    2.2945    0.3360 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