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
    3.2069    0.3845   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3545   -0.5095    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369   -0.2749    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767    0.8635   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953    1.0885   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962    0.0902    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -1.0955    0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -1.2485    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478    0.2307    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9938   -0.6725    0.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8057    1.3964   -0.3713 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
    2.9324    1.3461   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    0.2110   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7740   -1.4334    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612    1.6746   -0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642    1.9816   -0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035   -1.8527    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316   -2.1802    0.9467 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