SODIUM 5,6,7,8-TETRAHYDRONAPHTHALENE-1-SULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID0070071

Structure

InChI Key KSNRKMFHNKRKJU-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])C=1C=CC=C2C1CCCC2
InChI
InChI=1/C10H12O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h3,5,7H,1-2,4,6H2,(H,11,12,13);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O3S
Molecular Weight 234.03
AlogP -1.53
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.2
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 64346-09-4
NORMAN SUSDAT
PubChem 116574
CONTENTS