strontium(2+) ion diacetate hydrate

• ChemBase ID: 295387
• Molecular Formular: C4H8O5Sr
• Molecular Mass: 223.72332
• Monoisotopic Mass: 223.94278536
• SMILES: CC(=O)[O-].CC(=O)[O-].O.[Sr+2]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.O.[Sr+2]
• 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: strontium(2+) ion diacetate hydrate
• IUPAC Traditional name: strontium(2+) ion diacetate hydrate
• Synonyms: Acetic acid strontium salt; Strontium acetate hemihydrate; Strontium acetate hemihydrate, Reagent Grade; 乙酸锶半水合物; 乙酸锶半水合物, 试剂级

Database IDs

• CAS Number: 14692-29-6
• EC Number: 208-854-8
• MDL Number: MFCD00198064
• Merck Index: 148836
• PubChem SID: 180680918
• PubChem CID: 12598464

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Crystalline
• Melting Point: 150°C -0.5H{2}O

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%