o-Phenylene antimonate(III)

C6H6O3Sb — CID 16682742

IUPAC—
SMILESO.c1ccc2c(c1)O[Sb]O2
InChIInChI=1S/C6H6O2.H2O.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H2;/q;;+2/p-2
InChIKeyKIXFVJBQTYHBHX-UHFFFAOYSA-L
MW247.87 g/mol
LogP0.17
Rot. Bonds

About o-Phenylene antimonate(III)

o-Phenylene antimonate(III) (PubChem CID 16682742) has the molecular formula C6H6O3Sb and a molecular weight of 247.87 g/mol.

Molecular Properties

Compound Nameo-Phenylene antimonate(III)
PubChem CID16682742
Molecular FormulaC6H6O3Sb
Molecular Weight247.87 g/mol
Exact Mass246.94
IUPAC Name—
SMILESO.c1ccc2c(c1)O[Sb]O2
InChIInChI=1S/C6H6O2.H2O.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H2;/q;;+2/p-2
InChIKeyKIXFVJBQTYHBHX-UHFFFAOYSA-L
XLogP0.17
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.87
LogP ≤ 50.17
H-Bond Donors ≤ 50
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 o-Phenylene antimonate(III)?
The IUPAC name of o-Phenylene antimonate(III) (CID 16682742) is not available.
What is the SMILES notation for o-Phenylene antimonate(III)?
The canonical SMILES for o-Phenylene antimonate(III) is O.c1ccc2c(c1)O[Sb]O2.
What is the InChIKey of o-Phenylene antimonate(III)?
The InChIKey is KIXFVJBQTYHBHX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.H2O.Sb/c7-5-3-1-2-4-6(5)8;;/h1-4,7-8H;1H2;/q;;+2/p-2.
What are the key properties of o-Phenylene antimonate(III)?
o-Phenylene antimonate(III) has a molecular weight of 247.87 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for o-Phenylene antimonate(III) is sourced from PubChem (CID 16682742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).