2-Propyne-1-sulfonic acid, sodium salt

Catalog Number	ACM55947461-1
CAS	55947-46-1
Structure
Synonyms	Sodium propynesulfonate
IUPAC Name	Sodium;prop-2-yne-1-sulfonate
Molecular Weight	142.11
Molecular Formula	C3H3NaO3S
Canonical SMILES	C#CCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);/q;+1/p-1
InChI Key	LDHXNOAOCJXPAH-UHFFFAOYSA-M
Melting Point	220 °C
Purity	35%+
Appearance	Liquid
Storage	Inert atmosphere, 2-8 °C
Exact Mass	141.97005941
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	141.97005941
Rotatable-Bond Count	1
Topological Polar Surface Area	65.6 Ų

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