CID 159990743

H2BMgO3 — CID 159990743

IUPAC—
SMILES[Mg+2].[O-][B]O.[OH-]
InChIInChI=1S/BHO2.Mg.H2O/c2-1-3;;/h2H;;1H2/q-1;+2;/p-1
InChIKeyUYPUGZYLBCHUHX-UHFFFAOYSA-M
MW85.13 g/mol
LogP-2.68
Rot. Bonds

About CID 159990743

CID 159990743 (PubChem CID 159990743) has the molecular formula H2BMgO3 and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 159990743
PubChem CID159990743
Molecular FormulaH2BMgO3
Molecular Weight85.13 g/mol
Exact Mass84.99
IUPAC Name—
SMILES[Mg+2].[O-][B]O.[OH-]
InChIInChI=1S/BHO2.Mg.H2O/c2-1-3;;/h2H;;1H2/q-1;+2;/p-1
InChIKeyUYPUGZYLBCHUHX-UHFFFAOYSA-M
XLogP-2.68
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
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 CID 159990743?
The IUPAC name of CID 159990743 (CID 159990743) is not available.
What is the SMILES notation for CID 159990743?
The canonical SMILES for CID 159990743 is [Mg+2].[O-][B]O.[OH-].
What is the InChIKey of CID 159990743?
The InChIKey is UYPUGZYLBCHUHX-UHFFFAOYSA-M. The full InChI is InChI=1S/BHO2.Mg.H2O/c2-1-3;;/h2H;;1H2/q-1;+2;/p-1.
What are the key properties of CID 159990743?
CID 159990743 has a molecular weight of 85.13 g/mol, XLogP of -2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159990743 is sourced from PubChem (CID 159990743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).