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
    3.0098    0.6941    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    0.1429    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    0.0304   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077    0.4791    0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748    0.3516    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094   -0.2396   -0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9150   -0.6907   -1.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -0.5638   -1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386   -0.3900   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902    0.0012    0.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741   -0.9932   -1.7164 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
    2.4684    1.0988    2.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    0.7516    1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629   -0.2464   -0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    0.9475    1.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9495    0.7069    1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -1.1564   -2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507   -0.9240   -1.8930 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