TOLUENESULFONATE, P-, ION

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID7045075

Structure

InChI Key JOXIMZWYDAKGHI-UHFFFAOYSA-M
Smiles CC1=CC=C(C=C1)S([O-])(=O)=O
InChI
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7O3S
Molecular Weight 171.01
AlogP 0.9
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.2
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16722-51-3
NORMAN SUSDAT
PubChem 85570
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