bis(acetyloxy)thulio acetate hydrate

• ChemBase ID: 148935
• Molecular Formular: C6H11O7Tm
• Molecular Mass: 364.08155
• Monoisotopic Mass: 363.98469069
• SMILES: CC(=O)O[Tm](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Tm](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.H2O.Tm/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H2;/q;;;;+3/p-3
• InChIKey: GKCQSJXCECKBHO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)thulio acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)thulio acetate hydrate
• Synonyms: Thulium(III) acetate hydrate; 乙酸铥(III) 水合物

Database IDs

• CAS Number: 207738-11-2
• MDL Number: MFCD00150125
• PubChem SID: 162243105; 24862825
• PubChem CID: 16212363

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: 21.523653 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: 3

Product Information

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

DETAILS

Sigma Aldrich - 367702

Packaging
1, 5 g in glass bottle