Sodium octane-1-sulfonate hydrate

Catalog Number	ACM207596290-1
CAS	207596-29-0
Structure
Synonyms	1-Octanesulfonic acid sodium salt monohydrate
Molecular Weight	234.29
Molecular Formula	C8H19NaO4S
Canonical SMILES	CCCCCCCCS(=O)(=O)[O-].O.[Na+]
InChI	InChI=1S/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);1H2/q;+1;/p-1
InChI Key	MBURIAHQXJQKRE-UHFFFAOYSA-M
Melting Point	300 °C
Purity	99%+
Complexity	184
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	234.09017454
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	234.09017454
Physical State	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	66.6 Ų

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Sodium octane-1-sulfonate hydrate (207596-29-0)

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