nickel(2+);oxalic acid;sulfate

C2H2NiO8S — CID 159586152

IUPACnickel(2+);oxalic acid;sulfate
SMILESO=C(O)C(=O)O.O=S(=O)([O-])[O-].[Ni+2]
InChIInChI=1S/C2H2O4.Ni.H2O4S/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyMJQILBLOQQGPCG-UHFFFAOYSA-L
MW244.79 g/mol
LogP-2.18
Rot. Bonds

About nickel(2+);oxalic acid;sulfate

nickel(2+);oxalic acid;sulfate (PubChem CID 159586152) has the molecular formula C2H2NiO8S and a molecular weight of 244.79 g/mol. Its IUPAC name is nickel(2+);oxalic acid;sulfate.

Molecular Properties

Compound Namenickel(2+);oxalic acid;sulfate
PubChem CID159586152
Molecular FormulaC2H2NiO8S
Molecular Weight244.79 g/mol
Exact Mass243.88
IUPAC Namenickel(2+);oxalic acid;sulfate
SMILESO=C(O)C(=O)O.O=S(=O)([O-])[O-].[Ni+2]
InChIInChI=1S/C2H2O4.Ni.H2O4S/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyMJQILBLOQQGPCG-UHFFFAOYSA-L
XLogP-2.18
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);oxalic acid;sulfate?
The IUPAC name of nickel(2+);oxalic acid;sulfate (CID 159586152) is nickel(2+);oxalic acid;sulfate.
What is the SMILES notation for nickel(2+);oxalic acid;sulfate?
The canonical SMILES for nickel(2+);oxalic acid;sulfate is O=C(O)C(=O)O.O=S(=O)([O-])[O-].[Ni+2].
What is the InChIKey of nickel(2+);oxalic acid;sulfate?
The InChIKey is MJQILBLOQQGPCG-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.Ni.H2O4S/c3-1(4)2(5)6;;1-5(2,3)4/h(H,3,4)(H,5,6);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of nickel(2+);oxalic acid;sulfate?
nickel(2+);oxalic acid;sulfate has a molecular weight of 244.79 g/mol, XLogP of -2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);oxalic acid;sulfate is sourced from PubChem (CID 159586152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).