POTASSIUM VINYLOXYBENZENESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID90179815

Structure

InChI Key RWTNDBYQABFGKZ-UHFFFAOYSA-M
Smiles [K+].O=S(=O)([O-])C=1C=CC=CC1OC=C
InChI
InChI=1/C8H8O4S.K/c1-2-12-7-5-3-4-6-8(7)13(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O4S
Molecular Weight 237.97
AlogP -1.88
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 66.43
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 25131-27-5
NORMAN SUSDAT
PubChem 3015205
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