Nickel(II) acetylacetonate hydrate

Catalog Number	ACM120156447-1
CAS	120156-44-7
Structure
Synonyms	Bis(acetylacetonato)nickel(II) hydrate
IUPAC Name	(Z)-4-Hydroxypent-3-en-2-one;nickel;hydrate
Molecular Weight	276.94
Molecular Formula	C10H18NiO5
Canonical SMILES	CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Ni]
InChI	InChI=1S/2C5H8O2.Ni.H₂O/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;1H2/b2*4-3-;
InChI Key	HRNADIRXJROXRG-SUKNRPLKSA-N
Boiling Point	220 °C/11mmHg (lit.)
Melting Point	230 °C
Purity	90%+
Appearance	Light green powder
Complexity	239
Exact Mass	276.050765
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Ni]
Monoisotopic Mass	276.050765
Rotatable Bond Count	2
Topological Polar Surface Area	75.6 Ų