Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)oxotitanium(IV)

Catalog Number	ACM152248674-1
CAS	152248-67-4
Structure
Synonyms	Oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)
Molecular Weight	432.4
Molecular Formula	C22H40O5Ti
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=[Ti]
InChI	InChI=1S/2C11H20O2.O.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/b2*8-7-;
InChI Key	XIKXPWMOEGTKNT-ZJCTYWPYSA-N
Melting Point	120 °C
Purity	95%
Appearance	Powder
Exact Mass	432.235515
Hydrogen Bond Acceptor Count	5
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=[Ti]
Monoisotopic Mass	432.235515
Rotatable Bond Count	6
Topological Polar Surface Area	91.7 Ų