trioxidane

• ChemBase ID: 130023
• Molecular Formular: H2O3
• Molecular Mass: 50.01408
• Monoisotopic Mass: 50.00039392
• SMILES: OOO
• Canonical SMILES: OOO
• InChI: InChI=1S/H2O3/c1-3-2/h1-2H
• InChIKey: JSPLKZUTYZBBKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxidane
• IUPAC Traditional name: hoooh
• Synonyms: Dihydrogen trioxide; Hydrogen trioxide; Water-Air; Trioxidane

Database IDs

• CAS Number: 14699-99-1
• PubChem SID: 162224308
• PubChem CID: 166717
• CHEBI ID: 46736
• Chemspider ID: 145859
• Gmelin ID: 200290
• Wikipedia Title: Trioxidane

CALCULATED PROPERTIES

• Acid pKa: 7.088651
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3071083
• LogD (pH = 7.4): -0.77640444
• Log P: -0.29609948
• Molar Refractivity: 6.4794 cm^3
• Polarizability: 3.0028806 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true