Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M2MWY0Z87I

Structure

InChI Key QQQFFLWYRHKKQG-UHFFFAOYSA-M
Smiles CC(=O)O[Hg]c1ccc(C)cc1
InChI
InChI=1S/C7H7.C2H4O2.Hg/c1-7-5-3-2-4-6-7;1-2(3)4;/h3-6H,1H3;1H3,(H,3,4);/q;;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Hg1O2
Molecular Weight 352.04
AlogP 0.62
Hydrogen Bond Acceptor 2.0
Polar Surface Area 40.13
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1300-78-3
NORMAN SUSDAT
FDA SRS M2MWY0Z87I