SODIUM 4-HYDROXYMERCURIOBENZOATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key CBELQCYFTSHKPJ-UHFFFAOYSA-L
Smiles [Na+].O[Hg]c1ccc(cc1)C(=O)[O-]
InChI
InChI=1/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;2*+1;/p-2/rC7H6HgO3.Na/c9-7(10)5-1-3-6(8-11)4-2-5;/h1-4,11H,(H,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5HgO3.Na
Molecular Weight 361.98
AlogP -4.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 60.36
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 138-85-2
NORMAN SUSDAT
CONTENTS