Sodium 3-chloro-2-hydroxypropanesulfonate

Catalog Number	ACM126830-1
CAS	126-83-0
Structure
Synonyms	1-Propanesulfonic acid, 3-chloro-2-hydroxy-, monosodium salt
IUPAC Name	Sodium;3-chloro-2-hydroxypropane-1-sulfonate
Molecular Weight	196.59
Molecular Formula	C3H6ClNaO4S
Canonical SMILES	C(C(CCl)O)S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1
InChI Key	TZLNJNUWVOGZJU-UHFFFAOYSA-M
Storage	Inert atmosphere, room temperature
Exact Mass	195.9573018
Hydrogen-Bond Acceptor Count	4
Hydrogen-Bond Donor Count	1
Monoisotopic Mass	195.9573018
Rotatable-Bond Count	3
Topological Polar Surface Area	85.8 Ų

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