Calcium 3-methyl-2-oxovalerate

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Catalog Number
ACM66872751
Product Name
Calcium 3-methyl-2-oxovalerate
Structure
Structure
CAS
66872-75-1
Category
Heterocyclic Organic Compound
Synonyms
Alpha-ketoisoleucine calcium salt
IUPAC Name
Calcium;3-methyl-2-oxopentanoate
Molecular Weight
298.35
Molecular Formula
C12H18CaO6
Canonical SMILES
CCC(C)C(=O)C(=O)[O-].CCC(C)C(=O)C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChI Key
PTFSVYLXDCGPFY-UHFFFAOYSA-L
Appearance
White to off-white solid
Storage
Inert atmosphere, room temperature
Complexity
123
Exact Mass
298.0729291
Monoisotopic Mass
298.0729291
Topological Polar Surface Area
114 Ų
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