POTASSIUM 3-(ALLYLOXY)PROPANESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII ATK35PQ9UD
EPA CompTox DTXSID20241130

Structure

InChI Key VHFYFKHKGFFLTE-UHFFFAOYSA-M
Smiles [K+].O=S(=O)([O-])CCCOCC=C
InChI
InChI=1/C6H12O4S.K/c1-2-4-10-5-3-6-11(7,8)9;/h2H,1,3-6H2,(H,7,8,9);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O4S
Molecular Weight 218.0
AlogP -2.87
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 66.43
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 94231-63-7
NORMAN SUSDAT
FDA SRS ATK35PQ9UD
PubChem 3024066
CONTENTS