Sodium octanoate-8,8,8-d3

Catalog	DGS1219795013
CAS	1219795-01-3
Synonyms	Octanoic acid, sodium salt-8,8,8-D3
IUPAC Name	sodium;8,8,8-trideuteriooctanoate
Molecular Weight	169.21
Molecular Formula	C8H14D3NaO2
InChI	InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1/i1D3;
InChI Key	BYKRNSHANADUFY-NIIDSAIPSA-M
Complexity	94.1
Exact Mass	169.11580424
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])CCCCCCC(=O)[O-].[Na+]
Isotopic Enrichment	99 atom % D
Monoisotopic Mass	169.11580424
Rotatable Bond Count	6
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	1984-06-1