Zirconium acetylacetonate

Catalog Number	ACM17501449-2
CAS	17501-44-9
Structure
Synonyms	Tetrakis(pentane-2,4-dionato-O,O')zirconium
Molecular Weight	487.7
Molecular Formula	C20H28O8Zr
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zr+4]
InChI	InChI=1S/4C5H8O2.Zr/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;+4/p-4/b4*4-3-;
InChI Key	FPFOSIXCIBGKOH-MTOQALJVSA-J
Melting Point	191-195 °C
Purity	98%
Appearance	Powder
Exact Mass	486.083117
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Zr+4]
Monoisotopic Mass	486.083117
Rotatable Bond Count	4
Topological Polar Surface Area	161 Ų