Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II)

Catalog Number	ACM14481084-2
CAS	14481-08-4
Structure
Synonyms	Nickel (2,2,6,6-tetramethyl-3,5-heptanedionate)
IUPAC Name	Nickel(2+);(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
Molecular Weight	425.2
Molecular Formula	C22H40NiO4
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ni+2]
InChI	InChI=1S/2C11H20O2.Ni/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;+2/p-2/b2*8-7+;
InChI Key	PIIJAZNTPALBJL-ORWWTJHYSA-L
Melting Point	219-223 °C
Purity	95%+
Appearance	Purple crystal
Storage	Under inert gas (nitrogen or Argon) at 2-8 °C
Complexity	199
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	424.212351
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(/C(=C\C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C\C(=O)C(C)(C)C)/O)(C)C.[Ni]
MDL Number	MFCD00192348
Monoisotopic Mass	424.212351
Rotatable Bond Count	6
Topological Polar Surface Area	80.3 Ų