iron(3+);oxalate;hydrate

C2H2FeO5+ — CID 172796672

About iron(3+);oxalate;hydrate

iron(3+);oxalate;hydrate (PubChem CID 172796672) has the molecular formula C2H2FeO5+ and a molecular weight of 161.88 g/mol. Its IUPAC name is iron(3+);oxalate;hydrate.

Molecular Properties

• Compound Name: iron(3+);oxalate;hydrate
• PubChem CID: 172796672
• Molecular Formula: C2H2FeO5+
• Molecular Weight: 161.88 g/mol
• Exact Mass: 161.92
• IUPAC Name: iron(3+);oxalate;hydrate
• SMILES: O.O=C([O-])C(=O)[O-].[Fe+3]
• InChI: InChI=1S/C2H2O4.Fe.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+3;/p-2
• InChIKey: QHHZJQRHGNLINU-UHFFFAOYSA-L
• XLogP: -4.34
• TPSA: 111.76 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	161.88
LogP ≤ 5	-4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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;hydrate?

The IUPAC name of iron(3+);oxalate;hydrate (CID 172796672) is iron(3+);oxalate;hydrate.

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

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

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

The InChIKey is QHHZJQRHGNLINU-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.Fe.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+3;/p-2.

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

iron(3+);oxalate;hydrate has a molecular weight of 161.88 g/mol, XLogP of -4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iron(3+);oxalate;hydrate is sourced from PubChem (CID 172796672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).