Synonyms
Sc(TMHD)3;Scandium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate) hydrate;307532-33-8;
IUPAC Name
(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;scandium;
Molecular Weight
597.793g/mol
Molecular Formula
C33H60O6Sc;
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.[Sc];
InChI
InChI=1S/3C11H20O2.Sc/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7+;;
InChI Key
DTXBDJFPVKQCCF-QFVJJVGWSA-N;
Complexity
801
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
3
Exact Mass
597.395g/mol
H-Bond Acceptor
6
H-Bond Donor
3
Heavy Atom Count
40
Monoisotopic Mass
597.395g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
112A^2
