bis(acetyloxy)samario acetate hydrate

• ChemBase ID: 148895
• Molecular Formular: C6H11O7Sm
• Molecular Mass: 345.50734
• Monoisotopic Mass: 346.97020969
• SMILES: CC(=O)O[Sm](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Sm](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.H2O.Sm/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H2;/q;;;;+3/p-3
• InChIKey: LKSVMAKMHXTSQX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)samario acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)samario acetate hydrate
• Synonyms: Samarium(III) acetate hydrate; 乙酸钐(III) 水合物

Database IDs

• CAS Number: 100587-91-5
• EC Number: 233-950-1
• MDL Number: MFCD00150123
• PubChem SID: 24859541; 162243067
• PubChem CID: 71311371

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: 20.931293 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
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

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

DETAILS

Sigma Aldrich - 325872

Packaging
25, 100 g in poly bottle