chromium(3+) ion triacetate hydrate

• ChemBase ID: 107739
• Molecular Formular: C6H11CrO7
• Molecular Mass: 247.14344
• Monoisotopic Mass: 246.99098519
• SMILES: O.[Cr+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.O.[Cr+3]
• InChI: InChI=1S/3C2H4O2.Cr.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: PHDRSNNXYBUITB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion triacetate hydrate
• IUPAC Traditional name: chromium(3+) tris(acetate ion) hydrate
• Synonyms: CHROMIC ACETATE

Database IDs

• CAS Number: 25013-82-5
• PubChem SID: 162094863
• PubChem CID: 168238

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: true

PROPERTIES

Safety Information

• RTECS: AG3050000