aluminum;cerium(3+);borate

AlBCeO3+3 — CID 19825559

IUPACaluminum;cerium(3+);borate
SMILES[Al+3].[Ce+3].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Ce/c;2-1(3)4;/q+3;-3;+3
InChIKeyWVFLURLNJFCAQG-UHFFFAOYSA-N
MW225.91 g/mol
LogP-4.33
Rot. Bonds

About aluminum;cerium(3+);borate

aluminum;cerium(3+);borate (PubChem CID 19825559) has the molecular formula AlBCeO3+3 and a molecular weight of 225.91 g/mol. Its IUPAC name is aluminum;cerium(3+);borate.

Molecular Properties

Compound Namealuminum;cerium(3+);borate
PubChem CID19825559
Molecular FormulaAlBCeO3+3
Molecular Weight225.91 g/mol
Exact Mass225.88
IUPAC Namealuminum;cerium(3+);borate
SMILES[Al+3].[Ce+3].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Ce/c;2-1(3)4;/q+3;-3;+3
InChIKeyWVFLURLNJFCAQG-UHFFFAOYSA-N
XLogP-4.33
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.91
LogP ≤ 5-4.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 aluminum;cerium(3+);borate?
The IUPAC name of aluminum;cerium(3+);borate (CID 19825559) is aluminum;cerium(3+);borate.
What is the SMILES notation for aluminum;cerium(3+);borate?
The canonical SMILES for aluminum;cerium(3+);borate is [Al+3].[Ce+3].[O-]B([O-])[O-].
What is the InChIKey of aluminum;cerium(3+);borate?
The InChIKey is WVFLURLNJFCAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BO3.Ce/c;2-1(3)4;/q+3;-3;+3.
What are the key properties of aluminum;cerium(3+);borate?
aluminum;cerium(3+);borate has a molecular weight of 225.91 g/mol, XLogP of -4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;cerium(3+);borate is sourced from PubChem (CID 19825559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).