Sodium p-toluenesulfinate

Catalog Number	ACM824793
CAS Number	824-79-3
Structure
Synonyms	p-Toluenesulfinic acid sodium salt
IUPAC Name	Sodium;4-methylbenzenesulfinate
Molecular Weight	178.19
Molecular Formula	C7H7NaO2S
Canonical SMILES	CC1=CC=C(C=C1)S(=O)[O-].[Na+]
InChI	InChI=1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChI Key	KFZUDNZQQCWGKF-UHFFFAOYSA-M
Melting Point	>300 °C
Purity	98%+
Solubility	Slightly soluble in water
Appearance	Powder
Storage	Inert atmosphere, store in freezer, under -20 °C
Exact Mass	178.00644492
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	178.00644492
Rotatable-Bond Count	1
Topological Polar Surface Area	59.3 Ų

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