Sodium 1-decanesulfonate

Catalog	DGS13419619
CAS	13419-61-9
Structure
Synonyms	1-Decanesulfonic acid sodium salt
IUPAC Name	sodium;decane-1-sulfonate
Molecular Weight	244.33
Molecular Formula	C10H21NaO3S
Canonical SMILES	CCCCCCCCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
InChI Key	AIMUHNZKNFEZSN-UHFFFAOYSA-M
Melting Point	>300 °C (lit.)
Purity	98%
Appearance	Powder
Complexity	209
EC Number	236-525-9
Exact Mass	244.11090998
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00007526
Monoisotopic Mass	244.11090998
Rotatable Bond Count	9
Stability	Stable. Hygroscopic. Incompatible with strong oxidizing agents.
Topological Polar Surface Area	65.6 Ų