Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in isopropyl alcohol)

Catalog Number	ACM17501790-1
CAS	17501-79-0
Structure
Synonyms	Acetylacetone titanium(IV) salt (ca. 63% in isopropyl alcohol)
IUPAC Name	(Z)-4-oxopent-2-en-2-olate;titanium(4+);
Molecular Weight	444.3
Molecular Formula	C20H28O8Ti
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ti+4]
InChI	InChI=1S/4C5H8O2.Ti/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;+4/p-4/b4*4-3-;
InChI Key	TYKCBTYOMAUNLH-MTOQALJVSA-J
Appearance	White to yellow to orange clear liquid
Complexity	90.4
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
EC Number	241-511-0
Exact Mass	444.1263585
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]
Monoisotopic Mass	444.1263585
Rotatable Bond Count	4
Topological Polar Surface Area	161 Ų