manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 109643
• Molecular Formular: C10H14MnO4
• Molecular Mass: 253.153809
• Monoisotopic Mass: 253.02725403
• SMILES: [Mn+2].CC(=O)/C=C(/C)\[O-].CC(=O)/C=C(/C)\[O-]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Mn+2]
• InChI: InChI=1S/2C5H8O2.Mn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
• InChIKey: ZQZQURFYFJBOCE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate); manganese(2+) ion bis(4-oxopent-2-en-2-olate)
• IUPAC Traditional name: manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate); manganese(II) bis(4-oxopent-2-en-2-olate)
• Synonyms: Manganese(II) acetylacetonate; Manganese(II) 2,4-pentanedionate; MANGANOUS ACETYLACETONATE; 乙酰丙酮锰(II)

Database IDs

• CAS Number: 14024-58-9
• EC Number: 237-858-2
• MDL Number: MFCD00000022
• PubChem SID: 162096272
• PubChem CID: 5486777

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

• Melting Point: 260-262°C dec.
• Density: 1.60

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 36/37/38-40
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

DETAILS

MP Biomedicals - 05211998

MP Biomedicals Rare Chemical collection