CID 173168771

AlBO — CID 173168771

IUPAC—
SMILESO=[Al].[B]
InChIInChI=1S/Al.B.O
InChIKeyDPMCHHHVRMBCMT-UHFFFAOYSA-N
MW53.79 g/mol
LogP-0.88
Rot. Bonds

About CID 173168771

CID 173168771 (PubChem CID 173168771) has the molecular formula AlBO and a molecular weight of 53.79 g/mol.

Molecular Properties

Compound NameCID 173168771
PubChem CID173168771
Molecular FormulaAlBO
Molecular Weight53.79 g/mol
Exact Mass53.99
IUPAC Name—
SMILESO=[Al].[B]
InChIInChI=1S/Al.B.O
InChIKeyDPMCHHHVRMBCMT-UHFFFAOYSA-N
XLogP-0.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.79
LogP ≤ 5-0.88
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 CID 173168771?
The IUPAC name of CID 173168771 (CID 173168771) is not available.
What is the SMILES notation for CID 173168771?
The canonical SMILES for CID 173168771 is O=[Al].[B].
What is the InChIKey of CID 173168771?
The InChIKey is DPMCHHHVRMBCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.B.O.
What are the key properties of CID 173168771?
CID 173168771 has a molecular weight of 53.79 g/mol, XLogP of -0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173168771 is sourced from PubChem (CID 173168771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).