beryllium(2+) ion diacetate

• ChemBase ID: 107872
• Molecular Formular: C4H6BeO4
• Molecular Mass: 127.100222
• Monoisotopic Mass: 127.03879087
• SMILES: [Be+2].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Be+2]
• InChI: InChI=1S/2C2H4O2.Be/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: YUOUKRIPFJKDJY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: beryllium(2+) ion diacetate
• IUPAC Traditional name: beryllium(2+) bis(acetate ion)
• Synonyms: BERYLLIUM ACETATE, BASIC

Database IDs

• CAS Number: 543-81-7
• PubChem SID: 162094281
• PubChem CID: 10981

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: AF5250000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• Risk Statements: R:25-26-36/37/38-43-48/23-49-58
• Safety Statements: S:45-53-61