Products for Research Use Only

Decanoic acid, barium salt

CAT: 0013-GTR19223565-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223565-01Size:100 mg
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Description
This product is the barium salt of decanoic acid, a biochemical reagent for research use. It is applied in studies of lipid metabolism and metal-carboxylate interactions, serving as a substrate or precursor in both in vitro biochemical assays and in vivo metabolic research models.
CAS Number
13098-41-4
Smiles
CCCCCCCCCC ([O-]) =O.CCCCCCCCCC ([O-]) =O.[Ba+2]
Molecular Formula
C20H38BaO4
Molecular Weight
479.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decanoic acid, barium salt (2:1)
CAS Number13098-41-4
PubChem CID13669059
IUPAC Namebarium(2+);bis(decanoate)
Molecular FormulaC20H38BaO4
Molecular Weight479.8
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count25
Formal Charge0
Complexity105
SMILES
CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ba+2]
InChI
InChI=1S/2C10H20O2.Ba/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2
InChIKey
OUOYUKOMZFADNU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Decanoic acid, barium salt (2:1)
CAS: 13098-41-4
CID: 13669059
Formula: C20H38BaO4
MW: 479.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass480.182257
Monoisotopic Mass480.182257
Topological Polar Surface Area80.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes