Potassium dodecanoate-d23

Catalog	DGS51732208
CAS	51732-20-8
Structure
Synonyms	Potassium laurate-d23
IUPAC Name	potassium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoate
Molecular Weight	261.54
Molecular Formula	C12D23KO2
Canonical SMILES	CCCCCCCCCCCC(=O)[O-].[K+]
InChI	InChI=1S/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2;
InChI Key	HIDKSOTTZRMUML-LBOOQGLESA-M
Purity	98 atom % D
Complexity	138
Exact Mass	261.27787661
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)[O-].[K+]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	261.27787661
Rotatable Bond Count	10
Stability	Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions	Room temperature
Topological Polar Surface Area	40.1 Ų
Unlabeled CAS	10124-65-9