bis(cerium(3+));oxalate;zirconium

C6Ce2O12Zr2 — CID 173151736

IUPACbis(cerium(3+));oxalate;zirconium
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3].[Zr].[Zr]
InChIInChI=1S/3C2H2O4.2Ce.2Zr/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;2*+3;;/p-6
InChIKeyILTUFHBFZCPPGV-UHFFFAOYSA-H
MW726.73 g/mol
LogP-10.55
Rot. Bonds

About bis(cerium(3+));oxalate;zirconium

bis(cerium(3+));oxalate;zirconium (PubChem CID 173151736) has the molecular formula C6Ce2O12Zr2 and a molecular weight of 726.73 g/mol. Its IUPAC name is bis(cerium(3+));oxalate;zirconium.

Molecular Properties

Compound Namebis(cerium(3+));oxalate;zirconium
PubChem CID173151736
Molecular FormulaC6Ce2O12Zr2
Molecular Weight726.73 g/mol
Exact Mass723.56
IUPAC Namebis(cerium(3+));oxalate;zirconium
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3].[Zr].[Zr]
InChIInChI=1S/3C2H2O4.2Ce.2Zr/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;2*+3;;/p-6
InChIKeyILTUFHBFZCPPGV-UHFFFAOYSA-H
XLogP-10.55
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.73
LogP ≤ 5-10.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

azanium;oxalate;zirconium
CID 87076848
bis(cerium(3+));oxalate;decahydrate
CID 71586987
oxalate;bis(ruthenium(3+))
CID 57371303
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
cerium;oxalate
CID 8762
chromium(6+);oxalate
CID 138397959
oxalate;platinum(2+)
CID 22066175
diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044
cesium oxalate
CID 53436195
dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935

Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));oxalate;zirconium?
The IUPAC name of bis(cerium(3+));oxalate;zirconium (CID 173151736) is bis(cerium(3+));oxalate;zirconium.
What is the SMILES notation for bis(cerium(3+));oxalate;zirconium?
The canonical SMILES for bis(cerium(3+));oxalate;zirconium is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ce+3].[Ce+3].[Zr].[Zr].
What is the InChIKey of bis(cerium(3+));oxalate;zirconium?
The InChIKey is ILTUFHBFZCPPGV-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.2Ce.2Zr/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;;;/q;;;2*+3;;/p-6.
What are the key properties of bis(cerium(3+));oxalate;zirconium?
bis(cerium(3+));oxalate;zirconium has a molecular weight of 726.73 g/mol, XLogP of -10.55, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));oxalate;zirconium is sourced from PubChem (CID 173151736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).