Tris(pentane-2,4-dionato-O,O')scandium

Catalog Number	ACM14284947-1
CAS	14284-94-7
Structure
Synonyms	4-Oxopent-2-en-2-olate;scandium(3+)
Molecular Weight	342.28
Molecular Formula	C15H21O6Sc
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Sc+3]
InChI	InChI=1S/3C5H8O2.Sc/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;+3/p-3
InChI Key	QEXWAFFWPWSBON-UHFFFAOYSA-K
Melting Point	174-186 °C
Purity	98%
Appearance	Crystal
Complexity	90.4
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	342.08972
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Monoisotopic Mass	342.08972
Rotatable Bond Count	3
Topological Polar Surface Area	120 Ų