iron(3+);oxalate

C6FeO12-3 — CID 165359506

About iron(3+);oxalate

iron(3+);oxalate (PubChem CID 165359506) has the molecular formula C6FeO12-3 and a molecular weight of 319.90 g/mol. Its IUPAC name is iron(3+);oxalate.

Molecular Properties

• Compound Name: iron(3+);oxalate
• PubChem CID: 165359506
• Molecular Formula: C6FeO12-3
• Molecular Weight: 319.90 g/mol
• Exact Mass: 319.88
• IUPAC Name: iron(3+);oxalate
• SMILES: O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3]
• InChI: InChI=1S/3C2H2O4.Fe/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);/q;;;+3/p-6
• InChIKey: FYJLUEWYCIBBGT-UHFFFAOYSA-H
• XLogP: -10.54
• TPSA: 240.78 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	319.90
LogP ≤ 5	-10.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iron(3+);oxalate?

The IUPAC name of iron(3+);oxalate (CID 165359506) is iron(3+);oxalate.

What is the SMILES notation for iron(3+);oxalate?

The canonical SMILES for iron(3+);oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].

What is the InChIKey of iron(3+);oxalate?

The InChIKey is FYJLUEWYCIBBGT-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.Fe/c3*3-1(4)2(5)6;/h3*(H,3,4)(H,5,6);/q;;;+3/p-6.

What are the key properties of iron(3+);oxalate?

iron(3+);oxalate has a molecular weight of 319.90 g/mol, XLogP of -10.54, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for iron(3+);oxalate is sourced from PubChem (CID 165359506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).