(acetyloxy)strontio acetate hydrate

• ChemBase ID: 156664
• Molecular Formular: C4H8O5Sr
• Molecular Mass: 223.72332
• Monoisotopic Mass: 223.94278536
• SMILES: CC(=O)O[Sr]OC(=O)C.O
• Canonical SMILES: CC(=O)O[Sr]OC(=O)C.O
• InChI: InChI=1S/2C2H4O2.H2O.Sr/c2*1-2(3)4;;/h2*1H3,(H,3,4);1H2;/q;;;+2/p-2
• InChIKey: SZHYESNNWCCJNC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)strontio acetate hydrate
• IUPAC Traditional name: hydrate strontium acetate
• Synonyms: Strontium acetate hydrate; 乙酸锶 水合物

Database IDs

• CAS Number: 543-94-2
• EC Number: 208-854-8
• MDL Number: MFCD00198064
• Beilstein Number: 3692534
• PubChem SID: 162250801; 24888480
• PubChem CID: 16218609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4134
• LogD (pH = 7.4): -0.4134
• Log P: -0.4134
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 14.0271225 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• 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: ≥99.995% (calc. based on trace metal analysis); 40.63-40.80% Sr basis
• Grade: puriss. p.a.
• Impurities: ≤0.005% total of impurities (ICP-OES); ≤5.0% water
• Cation Traces: Ca: ≤1 mg/kg; Ca: ≤10 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤10 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Linear Formula: (CH3COO)2Sr · xH2O