Molybdenum(VI) dioxide bis(2,2,6,6-tetramethyl-3,5-heptanedionate)

Catalog Number	ACM34872985
CAS	34872-98-5
Structure
Synonyms	Dioxomolybdenum;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
Molecular Weight	496.5
Molecular Formula	C22H40MoO6
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=[Mo]=O
InChI	InChI=1S/2C11H20O2.Mo.2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/b2*8-7-;
InChI Key	FLPSXHSSVOJARZ-KKUWAICFSA-N
Melting Point	129-131 °C
Purity	98%
Appearance	Yellow crystal
Complexity	581
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	498.187893
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
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.O=[Mo]=O
Monoisotopic Mass	498.187893
Rotatable Bond Count	6
Topological Polar Surface Area	109 Ų