Calcium 3-hydroxybutanoate

Catalog Number	ACM51899071
CAS	51899-07-1
Synonyms	Calcium;3-hydroxybutanoate
Molecular Weight	246.27
Molecular Formula	C8H14CaO6
Canonical SMILES	CC(CC(=O)[O-])O.CC(CC(=O)[O-])O.[Ca+2]
InChI	InChI=1S/2C4H8O3.Ca/c2*1-3(5)2-4(6)7;/h2*3,5H,2H2,1H3,(H,6,7);/q;+2/p-2
InChI Key	OXUQOKIBNYSTGF-UHFFFAOYSA-L
Purity	98%+
Exact Mass	246.041629
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	246.041629
Rotatable Bond Count	2
Topological Polar Surface Area	121 Ų