DIIRON TRIMOLYBDENUM DODECAOXIDE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Free-form
EPA CompTox DTXSID90893968

Structure

InChI Key YKBFMJZUZNLZPM-UHFFFAOYSA-M
Smiles [OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Fe+3].[Fe+3].[Mo+6].[Mo+6].[Mo+6]
InChI
InChI=1S/2Fe.3Mo.H2O.11O/h;;;;;1H2;;;;;;;;;;;/q2*+3;3*+6;;11*-2/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula Fe2HMo3O12
Molecular Weight 598.53
AlogP -1.5
Hydrogen Bond Acceptor 1.0
Polar Surface Area 343.5
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 13769-81-8
NORMAN SUSDAT
CONTENTS