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Decanoic acid, barium salt

CAT: 0931-T31345-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T31345-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13098-41-4
Target
Others
Related Pathways
Others
Bioactivity
Decanoic acid, barium salt is a biochemical.
Smiles
CCCCCCCCCC([O-])=O.CCCCCCCCCC([O-])=O.[Ba+2]
Molecular Formula
C20H38BaO4
Molecular Weight
479.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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