Copper(II) acetylacetonate

Catalog Number	ACM13395169-3
CAS	13395-16-9
Structure
Synonyms	Cupric acetylacetonate
IUPAC Name	Copper;(Z)-4-hydroxypent-3-en-2-one
Molecular Weight	263.78
Molecular Formula	C10H16CuO4
Canonical SMILES	CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Cu]
InChI	InChI=1S/2C5H8O2.Cu/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;
InChI Key	ZKXWKVVCCTZOLD-FDGPNNRMSA-N
Boiling Point	160 °C
Melting Point	284-288 °C
Flash Point	160 °C
Purity	95%+
Density	0.721 g/cm³
Solubility	Slightly soluble in water, soluble in chloroform
Appearance	Blue crystalline solid
Storage	Store below +30 °C
Complexity	239
Covalently-Bonded Unit Count	3
EC Number	236-477-9
Exact Mass	263.034456
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Cu]
Monoisotopic Mass	263.034456
Rotatable Bond Count	2
Topological Polar Surface Area	74.6 Ų