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Structure

Potassium dodecanoate-d23

CAS
51732-20-8
Catalog Number
ACM51732208
Category
Other Products
Molecular Weight
261.54
Molecular Formula
C12D23KO2

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Specification

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
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
Chemical Formula
CD3(CD2)10COOK
Complexity
138
Exact Mass
261.27787661
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
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+]
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
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