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
   -3.1095   -0.3879   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -0.3194    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528   -0.1299    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595   -0.0064   -1.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    0.1741   -0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    0.2321    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934    0.1075    1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600   -0.0707    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    0.4222    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420    0.4745    1.3114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153    0.5448   -0.9586 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
   -2.6513   -0.3014   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -0.5354   -0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8711   -0.4110    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459   -0.0447   -2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    0.2680   -1.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6274    0.1527    2.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8147   -0.1692    2.2927 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