Calcium 2-oxopentanedioate dihydrate

Catalog Number	ACM2413997381
CAS	2413997-38-1
Synonyms	Calcium;2-oxopentanedioate;dihydrate
Molecular Weight	220.19
Molecular Formula	C5H8CaO7
Canonical SMILES	C(CC(=O)[O-])C(=O)C(=O)[O-].O.O.[Ca+2]
InChI	InChI=1S/C5H6O5.Ca.2H2O/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);2*1H2/q;+2;/p-2
InChI Key	UUZCUGHXLCGIDH-UHFFFAOYSA-L
Purity	98%+
Exact Mass	219.9895934
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Monoisotopic Mass	219.9895934
Rotatable Bond Count	2
Topological Polar Surface Area	99.3 Ų