Iridium(III) acetylacetonate

Catalog Number	ACM15635877-1
CAS	15635-87-7
Structure
Synonyms	(Z)-4-Hydroxypent-3-en-2-one;iridium
Molecular Weight	492.56
Molecular Formula	C15H24IrO6
Canonical SMILES	CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ir]
InChI	InChI=1S/3C5H8O2.Ir/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
InChI Key	AZFHXIBNMPIGOD-LNTINUHCSA-N
Melting Point	269-271 °C
Purity	98%+
Appearance	Crystalline
Exact Mass	493.12021
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Ir]
Monoisotopic Mass	493.12021
Rotatable Bond Count	3
Topological Polar Surface Area	112 Ų