strontium(2+) ion bis(4-oxopent-2-en-2-olate)

• ChemBase ID: 112739
• Molecular Formular: C10H14O4Sr
• Molecular Mass: 285.83576
• Monoisotopic Mass: 285.99482093
• SMILES: [Sr+2].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Sr+2]
• InChI: InChI=1S/2C5H8O2.Sr/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: UMBFGWVRZIHXCK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: strontium(2+) ion bis(4-oxopent-2-en-2-olate); strontium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: strontium(2+) bis(4-oxopent-2-en-2-olate); strontium(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: STRONTIUM ACETYL ACETONATE; Strontium acetylacetonate; Strontium 2,4-pentanedionate hydrate; 乙酰丙酮锶水合物

Database IDs

• CAS Number: 12193-47-4
• EC Number: 235-366-2
• MDL Number: MFCD00013502
• PubChem SID: 162097819
• PubChem CID: 5486159

CALCULATED PROPERTIES

• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.34448203
• LogD (pH = 7.4): 0.34309724
• Log P: 0.3444997
• Molar Refractivity: 39.1896 cm^3
• Polarizability: 10.113493 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in warm methoxyethanol, pyridine
• Apperance: Powder
• Melting Point: 200°C dec.; 220°C

Safety Information

• TSCA Listed: 否

DETAILS

MP Biomedicals - 05225600

MP Biomedicals Rare Chemical collection