barium(2+) ion [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase ID: 112286
• Molecular Formular: BaCr2O7
• Molecular Mass: 353.315
• Monoisotopic Mass: 353.75066434
• SMILES: [Ba+2].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.2Cr.7O/q+2;;;;;;;;2*-1
• InChIKey: LSWZMKLTBNIIHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC Traditional name: barium(2+) chromate
• Synonyms: BARIUM DICHROMATE

Database IDs

• CAS Number: 10031-16-0
• PubChem SID: 162097306
• PubChem CID: 11739663

CALCULATED PROPERTIES

• Acid pKa: 11.340681
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.7068007
• LogD (pH = 7.4): -3.7068496
• Log P: -3.7068
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 11.546313 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223345

MP Biomedicals Rare Chemical collection