Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)manganese (III)

Catalog Number	ACM14324993-1
CAS	14324-99-3
Structure
Synonyms	Bis-(2,2,6,6-tetramethyl-3,5-heptandionato)manganese(III)
Molecular Weight	607.8
Molecular Formula	C33H60MnO6
Canonical SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Mn]
InChI	InChI=1S/3C11H20O2.Mn/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key	JFJXUVXSIUJJNC-LWTKGLMZSA-N
Melting Point	165 °C
Purity	97%
Appearance	Black crystal
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	607.377033
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
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.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Mn]
Monoisotopic Mass	607.377033
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų