bis(acetyloxy)terbio acetate hydrate

• ChemBase ID: 148051
• Molecular Formular: C6H11O7Tb
• Molecular Mass: 354.07268
• Monoisotopic Mass: 353.97582369
• SMILES: CC(=O)O[Tb](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Tb](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.H2O.Tb/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H2;/q;;;;+3/p-3
• InChIKey: CUFVJHPGFMTTMB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)terbio acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)terbio acetate hydrate
• Synonyms: Terbium(III) acetate hydrate; 乙酸铽(III) 水合物

Database IDs

• CAS Number: 100587-92-6
• EC Number: 247-065-3
• MDL Number: MFCD00149233
• PubChem SID: 162242230; 24859546
• PubChem CID: 71311324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1701
• LogD (pH = 7.4): -0.1701
• Log P: -0.1701
• Molar Refractivity: 35.1483 cm^3
• Polarizability: 21.184816 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Tb(CH3CO2)3 · xH2O

DETAILS

Sigma Aldrich - 325929

Packaging
5, 25 g in glass bottle