cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid

C6H2Co2Ni2O10 — CID 174864025

IUPACcobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[Co].[Co].[Ni].[Ni]
InChIInChI=1S/C6H2O10.2Co.2Ni/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;/h(H,7,8)(H,9,10);;;;
InChIKeyPHMXEQVJAFWDDO-UHFFFAOYSA-N
MW469.32 g/mol
LogP-2.71
Rot. Bonds

About cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid

cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid (PubChem CID 174864025) has the molecular formula C6H2Co2Ni2O10 and a molecular weight of 469.32 g/mol. Its IUPAC name is cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid.

Molecular Properties

Compound Namecobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
PubChem CID174864025
Molecular FormulaC6H2Co2Ni2O10
Molecular Weight469.32 g/mol
Exact Mass467.70
IUPAC Namecobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[Co].[Co].[Ni].[Ni]
InChIInChI=1S/C6H2O10.2Co.2Ni/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;/h(H,7,8)(H,9,10);;;;
InChIKeyPHMXEQVJAFWDDO-UHFFFAOYSA-N
XLogP-2.71
TPSA161.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.32
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 173339501
2-iodooxy-2-oxoacetic acid
CID 90996944
dicalcium;dicarboxy oxalate;hydride
CID 173334486
2-oxalooxyperoxy-2-oxoacetic acid;dihydrate
CID 141168013
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate
CID 175143066
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
2-aminooxy-2-oxoacetic acid;propanoic acid
CID 174645946
carbonic acid;ruthenium
CID 87059075
2-[[(2S)-1-oxalooxy-1-oxopropan-2-yl]amino]-2-oxoacetic acid
CID 175112819
azane;azanide;cobalt;oxalic acid
CID 50897270
cobalt;2-oxopropanedioic acid
CID 174542323

Frequently Asked Questions

What is the IUPAC name of cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The IUPAC name of cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid (CID 174864025) is cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid.
What is the SMILES notation for cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The canonical SMILES for cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid is O=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[Co].[Co].[Ni].[Ni].
What is the InChIKey of cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The InChIKey is PHMXEQVJAFWDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2O10.2Co.2Ni/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;/h(H,7,8)(H,9,10);;;;.
What are the key properties of cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid has a molecular weight of 469.32 g/mol, XLogP of -2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid is sourced from PubChem (CID 174864025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).