bis(acetyloxy)bismuthanyl acetate

• ChemBase ID: 148592
• Molecular Formular: C6H9BiO6
• Molecular Mass: 386.11246
• Monoisotopic Mass: 386.02031101
• SMILES: CC(=O)O[Bi](OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[Bi](OC(=O)C)OC(=O)C
• InChI: InChI=1S/3C2H4O2.Bi/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: WKLWZEWIYUTZNJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)bismuthanyl acetate
• IUPAC Traditional name: bis(acetyloxy)bismuthanyl acetate
• Synonyms: Bismuth triacetate; Acetic acid bismuth(III) salt; Bismuth(III) acetate; 乙酸 铋(III) 盐; 乙酸铋(III)

Database IDs

• CAS Number: 22306-37-2
• EC Number: 244-904-5
• MDL Number: MFCD00015629
• PubChem SID: 162242767; 24865027
• PubChem CID: 16688082

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0201
• LogD (pH = 7.4): -0.0201
• Log P: -0.0201
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 22.715952 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 2

Product Information

• Purity: ≥99.99% trace metals basis
• Impurities: ≤5% Bi2O3
• Linear Formula: (CH3CO2)3Bi

DETAILS

Sigma Aldrich - 401587

Packaging
10, 50 g in poly bottle