Magnesium;2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;dihydrate

Catalog Number	ACM625832704-1
CAS	625832-70-4
Structure
Synonyms	Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)magnesium dihydrate
Molecular Weight	426.9
Molecular Formula	C22H42MgO6
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].O.O.[Mg+2]
InChI	InChI=1S/2C11H20O2.Mg.2H2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;2*1H2/q;+2;/p-2
InChI Key	WTZQUDYOTSWADB-UHFFFAOYSA-L
Melting Point	135-150 °C
Purity	99%
Appearance	Powder
Exact Mass	426.2831807
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	426.2831807
Rotatable Bond Count	8
Topological Polar Surface Area	82.3