2-HYDROXYETHANESULFONIC ACID MALEATE, DISODIUM

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII TAZ936HA1C
EPA CompTox DTXSID8051380

Structure

InChI Key RCMLSRDCUGPQSX-UAIGNFCESA-L
Smiles [Na+].[Na+].[O-]C(=O)C=C/C(=O)OCCS([O-])(=O)=O
InChI
InChI=1S/C6H8O7S.2Na/c7-5(8)1-2-6(9)13-3-4-14(10,11)12;;/h1-2H,3-4H2,(H,7,8)(H,10,11,12);;/q;2*+1/p-2/b2-1-;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Na2O7S
Molecular Weight 267.96
AlogP -8.61
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 5.0
Polar Surface Area 123.63
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 51678-73-0
NORMAN SUSDAT
FDA SRS TAZ936HA1C
PubChem 138394849
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