Scandium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)

Catalog Number	ACM15492496
CAS	15492-49-6
Structure
Synonyms	Scandium(III)-2,2,6,6-tetramethyl-3,5-heptanedionat
Molecular Weight	597.8
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-LWTKGLMZSA-N
Melting Point	152-154 °C
Purity	98%
Appearance	White powder
Complexity	801
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	597.394897
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
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.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Sc]
Monoisotopic Mass	597.394897
Rotatable Bond Count	9
Topological Polar Surface Area	112 Ų