azanium;iron(3+);oxalate

C6H4FeNO12-2 — CID 156593886

IUPACazanium;iron(3+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/3C2H2O4.Fe.H3N/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;1H3/q;;;+3;/p-5
InChIKeyIXNGKYULQORYPD-UHFFFAOYSA-I
MW337.94 g/mol
LogP-10.17
Rot. Bonds

About azanium;iron(3+);oxalate

azanium;iron(3+);oxalate (PubChem CID 156593886) has the molecular formula C6H4FeNO12-2 and a molecular weight of 337.94 g/mol. Its IUPAC name is azanium;iron(3+);oxalate.

Molecular Properties

Compound Nameazanium;iron(3+);oxalate
PubChem CID156593886
Molecular FormulaC6H4FeNO12-2
Molecular Weight337.94 g/mol
Exact Mass337.91
IUPAC Nameazanium;iron(3+);oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/3C2H2O4.Fe.H3N/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;1H3/q;;;+3;/p-5
InChIKeyIXNGKYULQORYPD-UHFFFAOYSA-I
XLogP-10.17
TPSA277.28 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 5-10.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;iron(3+);oxalate?
The IUPAC name of azanium;iron(3+);oxalate (CID 156593886) is azanium;iron(3+);oxalate.
What is the SMILES notation for azanium;iron(3+);oxalate?
The canonical SMILES for azanium;iron(3+);oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[NH4+].
What is the InChIKey of azanium;iron(3+);oxalate?
The InChIKey is IXNGKYULQORYPD-UHFFFAOYSA-I. The full InChI is InChI=1S/3C2H2O4.Fe.H3N/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;1H3/q;;;+3;/p-5.
What are the key properties of azanium;iron(3+);oxalate?
azanium;iron(3+);oxalate has a molecular weight of 337.94 g/mol, XLogP of -10.17, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;iron(3+);oxalate is sourced from PubChem (CID 156593886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).