λ2-lead(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

• ChemBase ID: 303912
• Molecular Formular: C10H14O4Pb
• Molecular Mass: 405.41576
• Monoisotopic Mass: 406.06586093
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Pb+2]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[Pb+2]
• InChI: InChI=1S/2C5H8O2.Pb/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-
• InChIKey: UNNUWSQNTAFLDC-FDGPNNRMSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-lead(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: λ^2-lead(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
• Synonyms: Lead(II) acetylacetonate; Lead(II) 2,4-pentanedionate; 乙酰丙酮铅(II)

Database IDs

• CAS Number: 15282-88-9
• EC Number: 239-323-9
• MDL Number: MFCD00013499

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

• Apperance: Crystalline
• Melting Point: 141-144°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3467
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 61-62-20/22-33-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H360-H373-H400-H410-H302-H332
• GHS Precautionary statements: P260-P261-P281-P304+P340-P405-P501A