4-({[(4-oxopent-2-en-2-yl)oxy]strontio}oxy)pent-3-en-2-one

• ChemBase ID: 141727
• Molecular Formular: C10H14O4Sr
• Molecular Mass: 285.83576
• Monoisotopic Mass: 285.99482093
• SMILES: C/C(=C\C(=O)C)/O[Sr]O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[Sr]O/C(=C/C(=O)C)/C
• 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: 4-({[(4-oxopent-2-en-2-yl)oxy]strontio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({[(4-oxopent-2-en-2-yl)oxy]strontio}oxy)pent-3-en-2-one
• Synonyms: Sr(acac)2; Strontium acetylacetonate hydrate; 乙酰丙酮锶 水合物

Database IDs

• CAS Number: 12193-47-4
• MDL Number: MFCD00013502
• PubChem SID: 24864342; 162235961
• PubChem CID: 71310689

CALCULATED PROPERTIES

• Acid pKa: 19.13614
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4046
• LogD (pH = 7.4): 0.4046
• Log P: 0.4046
• Molar Refractivity: 54.8498 cm^3
• Polarizability: 24.236586 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P281

Product Information

• Purity: 97%
• Linear Formula: [CH3COCH=C(O-)CH3]2Sr · xH2O

DETAILS

Sigma Aldrich - 704512

Packaging
5, 25 g in glass bottle