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
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
Defined Bond Stereocenter Count
4
EC Number
241-511-0
Exact Mass
444.1263585
H-Bond Acceptor
8
Heavy Atom Count
29
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
UNII
Q1276Q51Z1
