CALCINED GYPSUM

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID90894798

Structure

InChI Key ZOMBKNNSYQHRCA-UHFFFAOYSA-J
Smiles O.[Ca++].[Ca++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
InChI
InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula Ca2H2O9S2
Molecular Weight 289.84
AlogP -4.26
Hydrogen Bond Acceptor 8.0
Polar Surface Area 192.02
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 26499-65-0
NORMAN SUSDAT
PubChem 3033839
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