oxalic acid;zirconium;hydrate

C4H6O9Zr — CID 91886498

IUPACoxalic acid;zirconium;hydrate
SMILESO.O=C(O)C(=O)O.O=C(O)C(=O)O.[Zr]
InChIInChI=1S/2C2H2O4.H2O.Zr/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);1H2;
InChIKeyBXIXAWKCCJKASW-UHFFFAOYSA-N
MW289.31 g/mol
LogP-2.52
Rot. Bonds

About oxalic acid;zirconium;hydrate

oxalic acid;zirconium;hydrate (PubChem CID 91886498) has the molecular formula C4H6O9Zr and a molecular weight of 289.31 g/mol. Its IUPAC name is oxalic acid;zirconium;hydrate.

Molecular Properties

Compound Nameoxalic acid;zirconium;hydrate
PubChem CID91886498
Molecular FormulaC4H6O9Zr
Molecular Weight289.31 g/mol
Exact Mass287.91
IUPAC Nameoxalic acid;zirconium;hydrate
SMILESO.O=C(O)C(=O)O.O=C(O)C(=O)O.[Zr]
InChIInChI=1S/2C2H2O4.H2O.Zr/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);1H2;
InChIKeyBXIXAWKCCJKASW-UHFFFAOYSA-N
XLogP-2.52
TPSA180.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-2.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;zirconium;hydrate?
The IUPAC name of oxalic acid;zirconium;hydrate (CID 91886498) is oxalic acid;zirconium;hydrate.
What is the SMILES notation for oxalic acid;zirconium;hydrate?
The canonical SMILES for oxalic acid;zirconium;hydrate is O.O=C(O)C(=O)O.O=C(O)C(=O)O.[Zr].
What is the InChIKey of oxalic acid;zirconium;hydrate?
The InChIKey is BXIXAWKCCJKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H2O4.H2O.Zr/c2*3-1(4)2(5)6;;/h2*(H,3,4)(H,5,6);1H2;.
What are the key properties of oxalic acid;zirconium;hydrate?
oxalic acid;zirconium;hydrate has a molecular weight of 289.31 g/mol, XLogP of -2.52, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;zirconium;hydrate is sourced from PubChem (CID 91886498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).