Cobalt(III) acetylacetonate

Catalog Number	ACM21679469-4
CAS	21679-46-9
Structure
Synonyms	Cobalt(3+);(Z)-4-oxopent-2-en-2-olate
IUPAC Name	cobalt(3+);(Z)-4-oxopent-2-en-2-olate
Molecular Weight	356.26
Molecular Formula	C15H21CoO6
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Co+3]
InChI	InChI=1S/3C5H8O2.Co/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;+3/p-3/b3*4-3-;
InChI Key	RHCQEPWEBDOALW-LNTINUHCSA-K
Melting Point	210-213 °C
Purity	98%+
Appearance	Crystal
Complexity	90.4
Covalently-Bonded Unit Count	4
EC Number	244-527-6
Exact Mass	356.067007
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
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-].[Co+3]
Monoisotopic Mass	356.067007
Rotatable Bond Count	3
Topological Polar Surface Area	120 Ų