2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-, ion(1-), barium

Catalog Number	ACM118131570-1
CAS	118131-57-0
Structure
Synonyms	Barium bis[(2Z)-1,1,1,5,5,5-hexafluoro-4-oxo-2-penten-2-olate]
Molecular Weight	551.43
Molecular Formula	C10H2BaF12O4
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.[Ba+2]
InChI	InChI=1S/2C5H2F6O2.Ba/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	WUXISMDFUAVWSS-PAMPIZDHSA-L
Melting Point	250 °C
Purity	99%
Appearance	Powder
Exact Mass	551.881394
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.[Ba+2]
Monoisotopic Mass	551.881394
Rotatable Bond Count	2
Topological Polar Surface Area	80.3 Ų