SACCHARINATE

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Keyword(s): Drinking Water Chemicals
Molecule Category Free-form
EPA CompTox DTXSID50872456

Structure

InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-M
Smiles c1cccc2c1C(=O)[N-]S2(=O)=O
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4NO3S
Molecular Weight 181.99
AlogP -0.5
Hydrogen Bond Acceptor 3.0
Polar Surface Area 69.56
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 16766-82-8
NORMAN SUSDAT
PubChem 3665684
CONTENTS