berylliumdiol

• ChemBase ID: 126115
• Molecular Formular: BeH2O2
• Molecular Mass: 43.026862
• Monoisotopic Mass: 43.0176615
• SMILES: O[Be]O
• Canonical SMILES: O[Be]O
• InChI: InChI=1S/Be.2H2O/h;2*1H2/q+2;;/p-2
• InChIKey: WPJWIROQQFWMMK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: berylliumdiol
• IUPAC Traditional name: beryllium hydroxide
• Synonyms: Hydrated beryllia; Beryllium hydroxide

Database IDs

• CAS Number: 13327-32-7
• EC Number: 236-368-6
• PubChem SID: 162220456
• PubChem CID: 25879; 518753
• CHEBI ID: 35102
• Chemspider ID: 24727701
• Gmelin ID: 1024
• MeSH Name: Beryllium+hydroxide
• Wikipedia Title: Beryllium_hydroxide

CALCULATED PROPERTIES

• Acid pKa: 17.253557
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0724
• LogD (pH = 7.4): -1.0724
• Log P: -1.0724
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 3.5813854 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Vivid white, opaque crystals
• Melting Point: 1000°C
• Density: 1.92 g cm^-3
• Heat Capacity: 1.443 J K^-1
• Std enthalpy of formation: -904 kJ mol^-1
• Std molar entropy: 47 J·mol^-1·K^-1

Safety Information

• RTECS: DS3150000
• Main Hazard: Carcinogenic
• LD50: 4 mg kg^-1 (intravenous, rat)