AG003EO1

5802-89-1 | 1-Tridecanesulfonic Acid Sodium Salt

AG003EO1

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CAS Number	5802-89-1
Catalog Number	AG003EO1(AGN-PC-0SOYDM)
Chemical Name	1-Tridecanesulfonic Acid Sodium Salt
IUPAC Name	sodium;tridecane-1-sulfonate
InChI	InChI=1S/C13H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1
InChI Key	CACJZDMMUHMEBN-UHFFFAOYSA-M
MDL Number	MFCD00024993
Molecular Formula	C13H27NaO3S
Molecular Weight	286.4065
SMILES	CCCCCCCCCCCCCS(=O)([O-])=O.[Na+]
Synonyms	5802-89-1, Sodium 1-Tridecanesulfonate, sodium 1-tridecanesulfonat, 1-Tridecanesulfonic Acid Sodium Salt, sodium tridecane-1-sulfonate, Sodium 1-Tridecanesulfonate [Reagent for Ion-Pair Chromatography], sodium tridecane-sulfonate, ACMC-209m2c, IPC-ALKS-13, SCHEMBL1134651, CHEMBL2028489, DTXSID10635600, Tridecylsulfonic Acid Sodium Salt, ANW-32866, Sodium 1-tridecanesulfonate, AldrichCPR, TR-020207, FT-0635859, I0351, Sodium n-tridecyl sulfate, Sodium 1-tridecyl sulfate, MFCD00024993, 1-TRIDECANESULFONICACIDSODIUMSALT, T0756, 1-Tridecanesulfonic acid sodium salt, 98%, for ion-pair chromatography - 25G 25g,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.158g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.406g/mol
Monoisotopic Mass	286.158g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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