Calcium;(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate

Catalog Number	ACM121012906-1
CAS	121012-90-6
Structure
Synonyms	Calcium hexafluoroacetylacetonate
Molecular Weight	454.18
Molecular Formula	C10H2CaF12O4
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.[Ca+2]
InChI	InChI=1S/2C5H2F6O2.Ca/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;+2/p-2/b2*2-1-;
InChI Key	NAKDHPCUMMNGKK-PAMPIZDHSA-L
Melting Point	135-140 °C
Purity	98%
Exact Mass	453.9387373
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	0
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.[Ca+2]
Monoisotopic Mass	453.9387373
Rotatable Bond Count	2
Topological Polar Surface Area	80.3 Ų