Catalog Number
ACM56408903
Product Name
Sodium octanoate-d15
Category
Heterocyclic Organic Compound
Synonyms
Sodium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoate
IUPAC Name
sodium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoate
Molecular Formula
C8D15NaO2
Canonical SMILES
CCCCCCCC(=O)[O-].[Na+]
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/i1D3,2D2,3D2,4D2,5D2,6D2,7D2;
InChI Key
BYKRNSHANADUFY-QBMKXHHWSA-M
Chemical Formula
CD3(CD2)6COONa
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(=O)[O-].[Na+]
Monoisotopic Mass
181.19112519
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
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![2-[2-(2-Methoxyethoxy)ethoxy]ethoxy-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy-dimethylsilyl]oxyethoxy]ethoxy]ethoxy]-dimethylsilane](https://resource.alfa-chemistry.com/structure/56408-81-2.gif)
