iron(3+);oxygen(2-);hydroxide;hydrate

H3FeO3 — CID 23320441

IUPACiron(3+);oxygen(2-);hydroxide;hydrate
SMILESO.[Fe+3].[O-2].[OH-]
InChIInChI=1S/Fe.2H2O.O/h;2*1H2;/q+3;;;-2/p-1
InChIKeyLDHBWEYLDHLIBQ-UHFFFAOYSA-M
MW106.87 g/mol
LogP-1.12
Rot. Bonds

About iron(3+);oxygen(2-);hydroxide;hydrate

iron(3+);oxygen(2-);hydroxide;hydrate (PubChem CID 23320441) has the molecular formula H3FeO3 and a molecular weight of 106.87 g/mol. Its IUPAC name is iron(3+);oxygen(2-);hydroxide;hydrate.

Molecular Properties

Compound Nameiron(3+);oxygen(2-);hydroxide;hydrate
PubChem CID23320441
Molecular FormulaH3FeO3
Molecular Weight106.87 g/mol
Exact Mass106.94
IUPAC Nameiron(3+);oxygen(2-);hydroxide;hydrate
SMILESO.[Fe+3].[O-2].[OH-]
InChIInChI=1S/Fe.2H2O.O/h;2*1H2;/q+3;;;-2/p-1
InChIKeyLDHBWEYLDHLIBQ-UHFFFAOYSA-M
XLogP-1.12
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.87
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(3+);oxygen(2-);hydroxide;hydrate?
The IUPAC name of iron(3+);oxygen(2-);hydroxide;hydrate (CID 23320441) is iron(3+);oxygen(2-);hydroxide;hydrate.
What is the SMILES notation for iron(3+);oxygen(2-);hydroxide;hydrate?
The canonical SMILES for iron(3+);oxygen(2-);hydroxide;hydrate is O.[Fe+3].[O-2].[OH-].
What is the InChIKey of iron(3+);oxygen(2-);hydroxide;hydrate?
The InChIKey is LDHBWEYLDHLIBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/Fe.2H2O.O/h;2*1H2;/q+3;;;-2/p-1.
What are the key properties of iron(3+);oxygen(2-);hydroxide;hydrate?
iron(3+);oxygen(2-);hydroxide;hydrate has a molecular weight of 106.87 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);oxygen(2-);hydroxide;hydrate is sourced from PubChem (CID 23320441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).