Sodium hexanesulfonate

Catalog	DGS2832453
CAS	2832-45-3
Structure
Synonyms	1-Hexanesulfonic acid sodium salt
IUPAC Name	sodium;hexane-1-sulfonate
Molecular Weight	188.22
Molecular Formula	C6H13O3SNa
InChI	InChI=1S/C6H14O3S.Na/c1-2-3-4-5-6-10(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1
InChI Key	QWSZRRAAFHGKCH-UHFFFAOYSA-M
Melting Point	>300 °C (lit.)
Purity	≥98%
Density	1.017 g/cm³
Complexity	159
EC Number	220-601-3
Exact Mass	188.04830973
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCS(=O)(=O)[O-].[Na+]
MDL Number	MFCD00007542
Monoisotopic Mass	188.04830973
Rotatable Bond Count	5
Topological Polar Surface Area	65.6 Ų