bis(nickel(2+));oxalate;dihydrate

C4H4Ni2O10 — CID 172864701

IUPACbis(nickel(2+));oxalate;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ni+2].[Ni+2]
InChIInChI=1S/2C2H2O4.2Ni.2H2O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;2*1H2/q;;2*+2;;/p-4
InChIKeyZVGFCOGDYQZEPK-UHFFFAOYSA-J
MW329.45 g/mol
LogP-8.68
Rot. Bonds

About bis(nickel(2+));oxalate;dihydrate

bis(nickel(2+));oxalate;dihydrate (PubChem CID 172864701) has the molecular formula C4H4Ni2O10 and a molecular weight of 329.45 g/mol. Its IUPAC name is bis(nickel(2+));oxalate;dihydrate.

Molecular Properties

Compound Namebis(nickel(2+));oxalate;dihydrate
PubChem CID172864701
Molecular FormulaC4H4Ni2O10
Molecular Weight329.45 g/mol
Exact Mass327.85
IUPAC Namebis(nickel(2+));oxalate;dihydrate
SMILESO.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ni+2].[Ni+2]
InChIInChI=1S/2C2H2O4.2Ni.2H2O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;2*1H2/q;;2*+2;;/p-4
InChIKeyZVGFCOGDYQZEPK-UHFFFAOYSA-J
XLogP-8.68
TPSA223.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 5-8.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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bis(nickel(2+));oxalate;carbonate
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dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
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octacesium;oxalate;dihydrate
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Frequently Asked Questions

What is the IUPAC name of bis(nickel(2+));oxalate;dihydrate?
The IUPAC name of bis(nickel(2+));oxalate;dihydrate (CID 172864701) is bis(nickel(2+));oxalate;dihydrate.
What is the SMILES notation for bis(nickel(2+));oxalate;dihydrate?
The canonical SMILES for bis(nickel(2+));oxalate;dihydrate is O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ni+2].[Ni+2].
What is the InChIKey of bis(nickel(2+));oxalate;dihydrate?
The InChIKey is ZVGFCOGDYQZEPK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.2Ni.2H2O/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;2*1H2/q;;2*+2;;/p-4.
What are the key properties of bis(nickel(2+));oxalate;dihydrate?
bis(nickel(2+));oxalate;dihydrate has a molecular weight of 329.45 g/mol, XLogP of -8.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nickel(2+));oxalate;dihydrate is sourced from PubChem (CID 172864701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).