bis(acetyloxy)scandio acetate hydrate

• ChemBase ID: 148383
• Molecular Formular: C6H11O7Sc
• Molecular Mass: 240.10325
• Monoisotopic Mass: 240.00638959
• SMILES: CC(=O)O[Sc](OC(=O)C)OC(=O)C.O
• Canonical SMILES: CC(=O)O[Sc](OC(=O)C)OC(=O)C.O
• InChI: InChI=1S/3C2H4O2.H2O.Sc/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H2;/q;;;;+3/p-3
• InChIKey: WAUFOVXMMKWBAE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)scandio acetate hydrate
• IUPAC Traditional name: bis(acetyloxy)scandio acetate hydrate
• Synonyms: Scandium(III) acetate hydrate; 乙酸钪(III) 水合物

Database IDs

• CAS Number: 304675-64-7
• EC Number: 223-274-5
• MDL Number: MFCD00150122
• PubChem SID: 162242559; 24859543
• PubChem CID: 16212068

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: 17.540125 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)3Sc · xH2O

DETAILS

Sigma Aldrich - 325899

Packaging
1, 5 g in glass bottle