azane;iron;oxalic acid

C2H5FeNO4 — CID 87090690

IUPACazane;iron;oxalic acid
SMILESN.O=C(O)C(=O)O.[Fe]
InChIInChI=1S/C2H2O4.Fe.H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H3
InChIKeyAFAGPNUQCHIBIU-UHFFFAOYSA-N
MW162.91 g/mol
LogP-0.68
Rot. Bonds

About azane;iron;oxalic acid

azane;iron;oxalic acid (PubChem CID 87090690) has the molecular formula C2H5FeNO4 and a molecular weight of 162.91 g/mol. Its IUPAC name is azane;iron;oxalic acid.

Molecular Properties

Compound Nameazane;iron;oxalic acid
PubChem CID87090690
Molecular FormulaC2H5FeNO4
Molecular Weight162.91 g/mol
Exact Mass162.96
IUPAC Nameazane;iron;oxalic acid
SMILESN.O=C(O)C(=O)O.[Fe]
InChIInChI=1S/C2H2O4.Fe.H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H3
InChIKeyAFAGPNUQCHIBIU-UHFFFAOYSA-N
XLogP-0.68
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.91
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;azane;hydride;iron;oxalic acid
CID 173003601
azane;oxalic acid;dihydrate
CID 173006602
azane;carbonic acid;oxalic acid
CID 174837249
CID 170845858
CID 170845858
azane;azanide;cobalt;oxalic acid
CID 50897270
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;thorium
CID 25199595
oxalic acid;hydrochloride
CID 173369286
californium;oxalic acid
CID 87427078
magnesium oxalic acid
CID 54611841
europium;oxalic acid
CID 90472147
azane;oxalic acid;oxotitanium;hydrate
CID 45051728

Frequently Asked Questions

What is the IUPAC name of azane;iron;oxalic acid?
The IUPAC name of azane;iron;oxalic acid (CID 87090690) is azane;iron;oxalic acid.
What is the SMILES notation for azane;iron;oxalic acid?
The canonical SMILES for azane;iron;oxalic acid is N.O=C(O)C(=O)O.[Fe].
What is the InChIKey of azane;iron;oxalic acid?
The InChIKey is AFAGPNUQCHIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.Fe.H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H3.
What are the key properties of azane;iron;oxalic acid?
azane;iron;oxalic acid has a molecular weight of 162.91 g/mol, XLogP of -0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron;oxalic acid is sourced from PubChem (CID 87090690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).