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Cobalt(II) oxo pivalate

Catalog Number
ACM301663945-1
CAS Number
301663-94-5
Product Name
Cobalt(II) oxo pivalate
Category
Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)
Synonyms
Cobalt;2,2-dimethylpropanoic acid;(1-hydroxy-2,2-dimethylpropylidene)oxidanium;dihydrate
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.
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
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