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

• ChemBase ID: 303108
• Molecular Formular: C15H21O6V
• Molecular Mass: 348.26514
• Monoisotopic Mass: 348.07777289
• SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[V+3]
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[O-]/C(=C\C(=O)C)/C.[V+3]
• InChI: InChI=1S/3C5H8O2.V/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-
• InChIKey: JTPOGAMSYINTGF-LNTINUHCSA-K

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 13476-99-8
• EC Number: 236-759-1
• MDL Number: MFCD00000033

CALCULATED PROPERTIES

• 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
• Acid pKa: 9.890059
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN3285
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/24/25
• Safety Statements: 4-9-20-27-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: typically 97%