Sodium o-cumenesulfonate

Catalog Number	ACM71407448-1
CAS	71407-44-8
Structure
Synonyms	Benzenesulfonic acid, (1-methylethyl)-, sodium salt
IUPAC Name	Sodium;2-propan-2-ylbenzenesulfonate
Molecular Weight	222.24
Molecular Formula	C9H11NaO3S
Canonical SMILES	CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C9H12O3S.Na/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1
InChI Key	GIPRGFRQMWSHAK-UHFFFAOYSA-M
Purity	98%
Solubility	Soluble in water
Appearance	Liquid
Storage	Store in a dry, ventilated area
Exact Mass	222.03265966
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	222.03265966
Rotatable-Bond Count	2
Topological Polar Surface Area	65.2 Ų

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