1,3,5,2,4,6-trioxatriborinane

• ChemBase ID: 126216
• Molecular Formular: B3H3O3
• Molecular Mass: 83.45502
• Monoisotopic Mass: 84.03613516
• SMILES: O1BOBOB1
• Canonical SMILES: O1BOBOB1
• InChI: InChI=1S/B3H3O3/c1-4-2-6-3-5-1/h1-3H
• InChIKey: BRTALTYTFFNPAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,2,4,6-trioxatriborinane
• IUPAC Traditional name: boroxine
• Synonyms: Trihydroxy boroxine; cyclotriboroxane; Boroxine

Database IDs

• CAS Number: 289-56-5
• PubChem SID: 162220556
• PubChem CID: 6327462; 139461
• Chemspider ID: 119911
• Wikipedia Title: Boroxine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.138
• LogD (pH = 7.4): -0.138
• Log P: -0.138
• Molar Refractivity: 41.7447 cm^3
• Polarizability: 7.0725055 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true