Calcium hexafluoroacetylacetonate dihydrate

Catalog Number	ACM141572909
CAS	141572-90-9
Synonyms	Calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate;dihydrate
Molecular Weight	490.21
Molecular Formula	C10H6CaF12O6
Canonical SMILES	C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.O.O.[Ca+2]
InChI	InChI=1S/2C5H2F6O2.Ca.2H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;2*1H2/q;+2;/p-2/b2*2-1-;
InChI Key	CSKMJQHMZGBTNJ-LJDKTGGESA-L
Purity	98%
Exact Mass	489.9598667
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	2
Isomeric SMILES	C(=C(\[O-])/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\[O-])/C(F)(F)F)\C(=O)C(F)(F)F.O.O.[Ca+2]
Monoisotopic Mass	489.9598667
Rotatable Bond Count	2
Topological Polar Surface Area	82.3 Ų