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
   -3.1805    0.5602    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844   -0.3274    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485   -0.1913    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1788   -1.2067   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1807   -1.0970   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023   -0.0314    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    0.9758    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358    0.8850    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.0573    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8632    1.0079    0.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030   -0.9521   -0.2666 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
   -2.8117    1.4288    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695    0.4798    0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8234   -1.1782   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838   -2.0333   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991   -1.8725   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538    1.8117    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    1.6837    1.2411 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