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

C3Ni2O7 — CID 173301316

IUPACbis(nickel(2+));oxalate;carbonate
SMILESO=C([O-])C(=O)[O-].O=C([O-])[O-].[Ni+2].[Ni+2]
InChIInChI=1S/C2H2O4.CH2O3.2Ni/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);(H2,2,3,4);;/q;;2*+2/p-4
InChIKeyFVRPZILTPHOFFJ-UHFFFAOYSA-J
MW265.41 g/mol
LogP-5.97
Rot. Bonds

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

bis(nickel(2+));oxalate;carbonate (PubChem CID 173301316) has the molecular formula C3Ni2O7 and a molecular weight of 265.41 g/mol. Its IUPAC name is bis(nickel(2+));oxalate;carbonate.

Molecular Properties

Compound Namebis(nickel(2+));oxalate;carbonate
PubChem CID173301316
Molecular FormulaC3Ni2O7
Molecular Weight265.41 g/mol
Exact Mass263.84
IUPAC Namebis(nickel(2+));oxalate;carbonate
SMILESO=C([O-])C(=O)[O-].O=C([O-])[O-].[Ni+2].[Ni+2]
InChIInChI=1S/C2H2O4.CH2O3.2Ni/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);(H2,2,3,4);;/q;;2*+2/p-4
InChIKeyFVRPZILTPHOFFJ-UHFFFAOYSA-J
XLogP-5.97
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 5-5.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tetraazanium;oxalate;carbonate
CID 141480111
bis(nickel(2+));oxalate;dihydrate
CID 172864701
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copper;potassium;carbonate;hydroxide;hydrate
CID 71374051
tris(platinum(2+));dicarbonate;dihydroxide
CID 173036654
CID 170839506
CID 170839506
oxalate;yttrium(3+)
CID 21124343
cerium;oxalate
CID 8762
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CID 138397959
dipotassium;disodium;dicarbonate
CID 23505264
cobalt;carbonate;hydroxide
CID 5362494
potassium;gadolinium(3+);dicarbonate
CID 15348000

Frequently Asked Questions

What is the IUPAC name of bis(nickel(2+));oxalate;carbonate?
The IUPAC name of bis(nickel(2+));oxalate;carbonate (CID 173301316) is bis(nickel(2+));oxalate;carbonate.
What is the SMILES notation for bis(nickel(2+));oxalate;carbonate?
The canonical SMILES for bis(nickel(2+));oxalate;carbonate is O=C([O-])C(=O)[O-].O=C([O-])[O-].[Ni+2].[Ni+2].
What is the InChIKey of bis(nickel(2+));oxalate;carbonate?
The InChIKey is FVRPZILTPHOFFJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H2O4.CH2O3.2Ni/c3-1(4)2(5)6;2-1(3)4;;/h(H,3,4)(H,5,6);(H2,2,3,4);;/q;;2*+2/p-4.
What are the key properties of bis(nickel(2+));oxalate;carbonate?
bis(nickel(2+));oxalate;carbonate has a molecular weight of 265.41 g/mol, XLogP of -5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nickel(2+));oxalate;carbonate is sourced from PubChem (CID 173301316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).