Calcium 4-methyl-2-oxopentanoate

Catalog Number	ACM51828956-1
CAS	51828-95-6
Structure
Synonyms	Calcium;4-methyl-2-oxopentanoate
Molecular Weight	298.35
Molecular Formula	C12H18CaO6
Canonical SMILES	CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-].[Ca+2]
InChI	InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;+2/p-2
InChI Key	WQZNGJIBHXYVNW-UHFFFAOYSA-L
Purity	98%
Exact Mass	298.0729291
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	298.0729291
Rotatable Bond Count	4
Topological Polar Surface Area	114 Ų