trichromium(3+) ion heptaacetate dihydroxide

• ChemBase ID: 302893
• Molecular Formular: C14H23Cr3O16
• Molecular Mass: 603.31112
• Monoisotopic Mass: 602.92013216
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[OH-].[OH-].[Cr+3].[Cr+3].[Cr+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[OH-].[OH-].[Cr+3].[Cr+3].[Cr+3]
• InChI: InChI=1S/7C2H4O2.3Cr.2H2O/c7*1-2(3)4;;;;;/h7*1H3,(H,3,4);;;;2*1H2/q;;;;;;;3*+3;;/p-9
• InChIKey: KDYFYAUIXHZPBG-UHFFFAOYSA-E

NAMES AND DATABASE IDS

Names

• IUPAC name: trichromium(3+) ion heptaacetate dihydroxide
• IUPAC Traditional name: trichromium(3+) ion heptaacetate dihydroxide
• Synonyms: Chromium(III) acetate hydroxide; 乙酸铬(III)氢氧化物

Database IDs

• CAS Number: 39430-51-8
• EC Number: 254-447-3
• MDL Number: MFCD00058912

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/22
• Safety Statements: 9-36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: Cr 24%