Sodium isethionate

Catalog Number	ACM2163436
CAS	216-343-6
Synonyms	2-Hydroxyethanesulfonic acid sodium salt
IUPAC Name	Sodium;2-hydroxyethanesulfonate
Molecular Weight	148.12
Molecular Formula	C2H5NaO4S
Canonical SMILES	C(CS(=O)(=O)[O-])O.[Na+]
InChI	InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChI Key	LADXKQRVAFSPTR-UHFFFAOYSA-M
Melting Point	191-194 °C
Purity	60%+
Appearance	Liquid
Storage	Store below +30 °C
Exact Mass	147.98062409
Hydrogen-Bond Acceptor Count	4
Hydrogen-Bond Donor Count	1
Monoisotopic Mass	147.98062409
Rotatable-Bond Count	2
Topological Polar Surface Area	85.8 Ų

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