Cobalt(II) oxo pivalate

Catalog Number	ACM301663945-1
CAS	301663-94-5
Description	Cobalt(II) oxo pivalate is a dinuclear complex that is typically formed by the direct reaction of cobalt carbonate with pivalic acid, followed by crystallization from MeCN. Its structure has two Co(II) sites bridged by two 2,11-carboxylates (Harris notation) and an oxygen atom.
Synonyms	Cobalt;2,2-dimethylpropanoic acid;(1-hydroxy-2,2-dimethylpropylidene)oxidanium;dihydrate
Molecular Weight	1740.1
Molecular Formula	C60H131Co8O26
Canonical SMILES	CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=[OH+])O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.O.O.[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Co]
InChI	InChI=1S/12C5H10O2.8Co.2H2O/c12*1-5(2,3)4(6)7;/h12*1-3H3,(H,6,7);2*1H2/p+7
InChI Key	GGMBWBVWRYBPPZ-UHFFFAOYSA-U
Melting Point	270-275 °C
Flash Point	Not applicable
Purity	98%
Appearance	powder
Complexity	1990
Covalently-Bonded Unit Count	22
Defined Atom Stereocenter Count	0
Exact Mass	1739.35841
Heavy Atom Count	94
Hydrogen Bond Acceptor Count	19
Hydrogen Bond Donor Count	21
MDL Number	MDLnumberMFCD22200509
Monoisotopic Mass	1739.35841
Rotatable Bond Count	12
Topological Polar Surface Area	337 Ų