trioxirane

• ChemBase ID: 126789
• Molecular Formular: O3
• Molecular Mass: 47.9982
• Monoisotopic Mass: 47.98474386
• SMILES: O1OO1
• Canonical SMILES: O1OO1
• InChI: InChI=1S/O3/c1-2-3-1
• InChIKey: XQOAKYYZMDCSIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trioxirane
• IUPAC Systematic name: Trioxirane
• IUPAC Traditional name: cyclic ozone
• Synonyms: Cyclic ozone

Database IDs

• CAS Number: 153851-84-4
• PubChem SID: 162221117
• PubChem CID: 16206854
• Chemspider ID: 13375217
• Wikipedia Title: Cyclic_ozone

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4533088
• LogD (pH = 7.4): 0.4533088
• Log P: 0.4533088
• Molar Refractivity: 4.0506 cm^3
• Polarizability: 2.49615 Å^3
• Polar Surface Area: 34.29 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true