Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID90143096

Structure

InChI Key LEAMSPPOALICQN-UHFFFAOYSA-H
Smiles O.O.O.O.O.O.O.O.[Fe++].[Fe++].[Fe++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
InChI
InChI=1S/3Fe.2H3O4P.8H2O/c;;;2*1-5(2,3)4;;;;;;;;/h;;;2*(H3,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;/p-6

Physicochemical Descriptors

Property Name Value
Molecular Formula Fe3H16O16P2
Molecular Weight 501.8
AlogP -12.25
Hydrogen Bond Acceptor 8.0
Polar Surface Area 424.5
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 10028-23-6
NORMAN SUSDAT
PubChem 44151620