Structure

InChI Key YGCFIWIQZPHFLU-UHFFFAOYSA-M
Smiles CC1=CC(=O)[N-]S(=O)(=O)O1
InChI
InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4NO4S
Molecular Weight 161.99
AlogP -1.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 78.79
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 3262017
ChemSpider 2511810.0