SODIUM ACETYL SULPHATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID20172758

Structure

InChI Key VCLVUNFJTOOMIR-UHFFFAOYSA-M
Smiles [Na+].O=C(OS(=O)(=O)[O-])C
InChI
InChI=1/C2H4O5S.Na/c1-2(3)7-8(4,5)6;/h1H3,(H,4,5,6);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O5S
Molecular Weight 161.96
AlogP -3.99
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 83.5
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 19201-24-2
NORMAN SUSDAT
PubChem 3015046
CONTENTS