CID 131847355

H2B2BaO4 — CID 131847355

IUPAC—
SMILESO=BO.O=BO.[Ba]
InChIInChI=1S/2BHO2.Ba/c2*2-1-3;/h2*2H;
InChIKeyBUEORCBYLRMLCT-UHFFFAOYSA-N
MW224.96 g/mol
LogP-2.49
Rot. Bonds

About CID 131847355

CID 131847355 (PubChem CID 131847355) has the molecular formula H2B2BaO4 and a molecular weight of 224.96 g/mol.

Molecular Properties

Compound NameCID 131847355
PubChem CID131847355
Molecular FormulaH2B2BaO4
Molecular Weight224.96 g/mol
Exact Mass225.92
IUPAC Name—
SMILESO=BO.O=BO.[Ba]
InChIInChI=1S/2BHO2.Ba/c2*2-1-3;/h2*2H;
InChIKeyBUEORCBYLRMLCT-UHFFFAOYSA-N
XLogP-2.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.96
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 131847355?
The IUPAC name of CID 131847355 (CID 131847355) is not available.
What is the SMILES notation for CID 131847355?
The canonical SMILES for CID 131847355 is O=BO.O=BO.[Ba].
What is the InChIKey of CID 131847355?
The InChIKey is BUEORCBYLRMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2BHO2.Ba/c2*2-1-3;/h2*2H;.
What are the key properties of CID 131847355?
CID 131847355 has a molecular weight of 224.96 g/mol, XLogP of -2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131847355 is sourced from PubChem (CID 131847355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).