chromium;bis(iron(3+));hexahydroxide;hexahydrate

H18Cr3Fe2O12 — CID 170839029

IUPACchromium;bis(iron(3+));hexahydroxide;hexahydrate
SMILESO.O.O.O.O.O.[Cr].[Cr].[Cr].[Fe+3].[Fe+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3Cr.2Fe.12H2O/h;;;;;12*1H2/q;;;2*+3;;;;;;;;;;;;/p-6
InChIKeyYHILIRILUGUPHF-UHFFFAOYSA-H
MW477.81 g/mol
LogP-6.02
Rot. Bonds

About chromium;bis(iron(3+));hexahydroxide;hexahydrate

chromium;bis(iron(3+));hexahydroxide;hexahydrate (PubChem CID 170839029) has the molecular formula H18Cr3Fe2O12 and a molecular weight of 477.81 g/mol. Its IUPAC name is chromium;bis(iron(3+));hexahydroxide;hexahydrate.

Molecular Properties

Compound Namechromium;bis(iron(3+));hexahydroxide;hexahydrate
PubChem CID170839029
Molecular FormulaH18Cr3Fe2O12
Molecular Weight477.81 g/mol
Exact Mass477.77
IUPAC Namechromium;bis(iron(3+));hexahydroxide;hexahydrate
SMILESO.O.O.O.O.O.[Cr].[Cr].[Cr].[Fe+3].[Fe+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3Cr.2Fe.12H2O/h;;;;;12*1H2/q;;;2*+3;;;;;;;;;;;;/p-6
InChIKeyYHILIRILUGUPHF-UHFFFAOYSA-H
XLogP-6.02
TPSA369.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.81
LogP ≤ 5-6.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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copper;chromium;dihydroxide;dihydrate
CID 170853399
iron(3+);heptahydrate
CID 159334620
nickel(2+);hexahydrate
CID 5251517
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CID 170850187
platinum(4+);hydroxide;hydrate
CID 51037004
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CID 21475489
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Frequently Asked Questions

What is the IUPAC name of chromium;bis(iron(3+));hexahydroxide;hexahydrate?
The IUPAC name of chromium;bis(iron(3+));hexahydroxide;hexahydrate (CID 170839029) is chromium;bis(iron(3+));hexahydroxide;hexahydrate.
What is the SMILES notation for chromium;bis(iron(3+));hexahydroxide;hexahydrate?
The canonical SMILES for chromium;bis(iron(3+));hexahydroxide;hexahydrate is O.O.O.O.O.O.[Cr].[Cr].[Cr].[Fe+3].[Fe+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of chromium;bis(iron(3+));hexahydroxide;hexahydrate?
The InChIKey is YHILIRILUGUPHF-UHFFFAOYSA-H. The full InChI is InChI=1S/3Cr.2Fe.12H2O/h;;;;;12*1H2/q;;;2*+3;;;;;;;;;;;;/p-6.
What are the key properties of chromium;bis(iron(3+));hexahydroxide;hexahydrate?
chromium;bis(iron(3+));hexahydroxide;hexahydrate has a molecular weight of 477.81 g/mol, XLogP of -6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(iron(3+));hexahydroxide;hexahydrate is sourced from PubChem (CID 170839029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).