CID 173178503

H2AlBO — CID 173178503

IUPAC—
SMILES[AlH2].[B]=O
InChIInChI=1S/Al.BO.2H/c;1-2;;
InChIKeyQJXKTTWDHXSXRL-UHFFFAOYSA-N
MW55.81 g/mol
LogP-1.42
Rot. Bonds

About CID 173178503

CID 173178503 (PubChem CID 173178503) has the molecular formula H2AlBO and a molecular weight of 55.81 g/mol.

Molecular Properties

Compound NameCID 173178503
PubChem CID173178503
Molecular FormulaH2AlBO
Molecular Weight55.81 g/mol
Exact Mass56.00
IUPAC Name—
SMILES[AlH2].[B]=O
InChIInChI=1S/Al.BO.2H/c;1-2;;
InChIKeyQJXKTTWDHXSXRL-UHFFFAOYSA-N
XLogP-1.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50055.81
LogP ≤ 5-1.42
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 173178503?
The IUPAC name of CID 173178503 (CID 173178503) is not available.
What is the SMILES notation for CID 173178503?
The canonical SMILES for CID 173178503 is [AlH2].[B]=O.
What is the InChIKey of CID 173178503?
The InChIKey is QJXKTTWDHXSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BO.2H/c;1-2;;.
What are the key properties of CID 173178503?
CID 173178503 has a molecular weight of 55.81 g/mol, XLogP of -1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178503 is sourced from PubChem (CID 173178503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).