alumane;oxaldehydic acid;zirconium;tetrahydrochloride

C2H9AlCl4O3Zr — CID 175537176

IUPACalumane;oxaldehydic acid;zirconium;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=CC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;
InChIKeyYQKPOKWZKQAJLG-UHFFFAOYSA-N
MW341.11 g/mol
LogP-0.23
Rot. Bonds1

About alumane;oxaldehydic acid;zirconium;tetrahydrochloride

alumane;oxaldehydic acid;zirconium;tetrahydrochloride (PubChem CID 175537176) has the molecular formula C2H9AlCl4O3Zr and a molecular weight of 341.11 g/mol. Its IUPAC name is alumane;oxaldehydic acid;zirconium;tetrahydrochloride.

Molecular Properties

Compound Namealumane;oxaldehydic acid;zirconium;tetrahydrochloride
PubChem CID175537176
Molecular FormulaC2H9AlCl4O3Zr
Molecular Weight341.11 g/mol
Exact Mass337.82
IUPAC Namealumane;oxaldehydic acid;zirconium;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=CC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;
InChIKeyYQKPOKWZKQAJLG-UHFFFAOYSA-N
XLogP-0.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;oxaldehydic acid;zirconium;tetrahydrochloride?
The IUPAC name of alumane;oxaldehydic acid;zirconium;tetrahydrochloride (CID 175537176) is alumane;oxaldehydic acid;zirconium;tetrahydrochloride.
What is the SMILES notation for alumane;oxaldehydic acid;zirconium;tetrahydrochloride?
The canonical SMILES for alumane;oxaldehydic acid;zirconium;tetrahydrochloride is Cl.Cl.Cl.Cl.O=CC(=O)O.[AlH3].[Zr].
What is the InChIKey of alumane;oxaldehydic acid;zirconium;tetrahydrochloride?
The InChIKey is YQKPOKWZKQAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.Al.4ClH.Zr.3H/c3-1-2(4)5;;;;;;;;;/h1H,(H,4,5);;4*1H;;;;.
What are the key properties of alumane;oxaldehydic acid;zirconium;tetrahydrochloride?
alumane;oxaldehydic acid;zirconium;tetrahydrochloride has a molecular weight of 341.11 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;oxaldehydic acid;zirconium;tetrahydrochloride is sourced from PubChem (CID 175537176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).