Dicarbonylacetylacetonato iridium(I)

Catalog Number	ACM14023804-1
CAS	14023-80-4
Structure
Synonyms	Carbon monoxide;(Z)-4-hydroxypent-3-en-2-one;iridium
Molecular Weight	348.35
Molecular Formula	C7H8IrO4
Canonical SMILES	CC(=CC(=O)C)O.[C-]#[O+].[C-]#[O+].[Ir]
InChI	InChI=1S/C5H8O2.2CO.Ir/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;/b4-3-;
InChI Key	NMFBREHTKYXYKM-FGSKAQBVSA-N
Melting Point	>145℃
Purity	98%
Appearance	Crystal
Exact Mass	349.00518
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C(=C/C(=O)C)/O.[C-]#[O+].[C-]#[O+].[Ir]
Monoisotopic Mass	349.00518
Rotatable Bond Count	1
Topological Polar Surface Area	39.3 Ų