[CARBONATO(2-)]HEXADECAHYDROXYBIS(ALUMINIUM)HEXAMAGNESIUM

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID9027730

Structure

InChI Key GDVKFRBCXAPAQJ-UHFFFAOYSA-A
Smiles [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[O-]C([O-])=O
InChI
InChI=1S/CH2O3.2Al.6Mg.16H2O/c2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;/h(H2,2,3,4);;;;;;;;;16*1H2/q;2*+3;6*+2;;;;;;;;;;;;;;;;/p-18

Physicochemical Descriptors

Property Name Value
Molecular Formula CH16Al2Mg6O19
Molecular Weight 529.9
AlogP -8.32
Hydrogen Bond Acceptor 19.0
Polar Surface Area 543.19
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 11097-59-9
NORMAN SUSDAT
CONTENTS