barium(2+) ion dioxoborinate

• ChemBase ID: 126026
• Molecular Formular: B2BaH2O4
• Molecular Mass: 224.96248
• Monoisotopic Mass: 225.91916634
• SMILES: [Ba+2].[O-][BH]=O.[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.[O-][BH]=O.[Ba+2]
• InChI: InChI=1S/2BO2.Ba/c2*2-1-3;/q2*-1;+2
• InChIKey: QBLDFAIABQKINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dioxoborinate
• IUPAC Traditional name: barium(2+) ion diboron oxide hydroxide
• Synonyms: barium diborate; barium boron oxide; barium metaborate; Barium borate

Database IDs

• CAS Number: 13701-59-2
• EC Number: 237-222-4
• PubChem SID: 162220369
• PubChem CID: 6101043
• Chemspider ID: 3642855
• Wikipedia Title: Barium_borate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0514
• LogD (pH = 7.4): -2.0514
• Log P: 0.2124
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 2.9952743 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in hydrochloric acid
• Apperance: white powder or colorless crystals
• Melting Point: 1095 °C
• Flash Point: Non-flammable
• Density: 3.85 g/cm^3
• Refractive Index: n_e = 1.5534, n_o = 1.6776
• Odor: odorless