Sodium 1-pentanesulfonate

Catalog Number	ACM22767493-2
CAS	22767-49-3
Structure
Synonyms	1-Pentanesulfonic acid sodium salt
IUPAC Name	Sodium;pentane-1-sulfonate
Molecular Weight	174.2
Molecular Formula	C5H11NaO3S
Canonical SMILES	CCCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
InChI Key	ROBLTDOHDSGGDT-UHFFFAOYSA-M
Melting Point	300 °C
Purity	95%+
Complexity	147
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	174.03265966
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	174.03265966
Physical State	Crystals
Rotatable Bond Count	4
Topological Polar Surface Area	65.6 Ų

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Sodium 1-pentanesulfonate (22767-49-3)

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