1-Octanesulfonic acid sodium salt

Catalog	DGS5324845
CAS	5324-84-5
Structure
Synonyms	Sodium 1-octanesulfonate
IUPAC Name	sodium;octane-1-sulfonate
Molecular Weight	216.27
Molecular Formula	C8H17O3SNa
InChI	InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
InChI Key	HRQDCDQDOPSGBR-UHFFFAOYSA-M
Boiling Point	>300 °C (lit.)
Melting Point	>300 °C (lit.)
Purity	≥98%
Appearance	Powder
Complexity	184
EC Number	226-195-4
Exact Mass	216.07960986
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00007544
Monoisotopic Mass	216.07960986
Rotatable Bond Count	7
Topological Polar Surface Area	65.6 Ų