manganese(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 302895
• Molecular Formular: C15H21MnO6
• Molecular Mass: 352.261689
• Monoisotopic Mass: 352.07185849
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Mn+3]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Mn+3]
• InChI: InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: HYZQBNDRDQEWAN-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: manganese(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Manganese(III) acetylacetonate; Manganese(III) 2,4-pentanedionate; 乙酰丙酮锰(III)

Database IDs

• CAS Number: 14284-89-0
• EC Number: 238-188-3
• MDL Number: MFCD00000023

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: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in benzene, ethyl acetate
• Apperance: Powder
• Melting Point: ^=160°C dec.

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 是