alumane;carbonic acid;iron;dihydrate

CH9AlFeO5 — CID 173498562

IUPACalumane;carbonic acid;iron;dihydrate
SMILESO.O.O=C(O)O.[AlH3].[Fe]
InChIInChI=1S/CH2O3.Al.Fe.2H2O.3H/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;2*1H2;;;
InChIKeyXGMSGAOCJYLWGU-UHFFFAOYSA-N
MW183.90 g/mol
LogP-2.61
Rot. Bonds

About alumane;carbonic acid;iron;dihydrate

alumane;carbonic acid;iron;dihydrate (PubChem CID 173498562) has the molecular formula CH9AlFeO5 and a molecular weight of 183.90 g/mol. Its IUPAC name is alumane;carbonic acid;iron;dihydrate.

Molecular Properties

Compound Namealumane;carbonic acid;iron;dihydrate
PubChem CID173498562
Molecular FormulaCH9AlFeO5
Molecular Weight183.90 g/mol
Exact Mass183.96
IUPAC Namealumane;carbonic acid;iron;dihydrate
SMILESO.O.O=C(O)O.[AlH3].[Fe]
InChIInChI=1S/CH2O3.Al.Fe.2H2O.3H/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;2*1H2;;;
InChIKeyXGMSGAOCJYLWGU-UHFFFAOYSA-N
XLogP-2.61
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.90
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
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 alumane;carbonic acid;iron;dihydrate?
The IUPAC name of alumane;carbonic acid;iron;dihydrate (CID 173498562) is alumane;carbonic acid;iron;dihydrate.
What is the SMILES notation for alumane;carbonic acid;iron;dihydrate?
The canonical SMILES for alumane;carbonic acid;iron;dihydrate is O.O.O=C(O)O.[AlH3].[Fe].
What is the InChIKey of alumane;carbonic acid;iron;dihydrate?
The InChIKey is XGMSGAOCJYLWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Al.Fe.2H2O.3H/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;2*1H2;;;.
What are the key properties of alumane;carbonic acid;iron;dihydrate?
alumane;carbonic acid;iron;dihydrate has a molecular weight of 183.90 g/mol, XLogP of -2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;carbonic acid;iron;dihydrate is sourced from PubChem (CID 173498562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).