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Sodium 3-chloro-2-hydroxypropanesulfonate

Catalog Number ACM126830-1
CAS Number 126-83-0
Structure {[CurrentData.Name]}
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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