MERCURY, (BENZOATO(2-)-C2,O1)-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 52VAI9R2NJ
EPA CompTox DTXSID9042126

Structure

InChI Key JCGVOERJBIIKCF-UHFFFAOYSA-M
Smiles O=C1O[Hg]C2=CC=CC=C12;O=C1O[Hg]c2ccccc12
InChI
InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h1-4H,(H,8,9);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Hg1O2
Molecular Weight 321.99
AlogP -0.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.13
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5722-59-8
NORMAN SUSDAT
FDA SRS 52VAI9R2NJ
CONTENTS