dioxirane

• ChemBase ID: 127121
• Molecular Formular: CH2O2
• Molecular Mass: 46.02538
• Monoisotopic Mass: 46.0054793
• SMILES: C1OO1
• Canonical SMILES: O1OC1
• InChI: InChI=1S/CH2O2/c1-2-3-1/h1H2
• InChIKey: ASQQEOXYFGEFKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxirane
• IUPAC Traditional name: dioxirane
• Synonyms: Dioxirane

Database IDs

• CAS Number: 157-26-6
• PubChem SID: 162221444
• PubChem CID: 449520
• Chemspider ID: 396025
• Wikipedia Title: Dioxirane

CALCULATED PROPERTIES

• Acid pKa: 14.088047
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24729502
• LogD (pH = 7.4): 0.24729495
• Log P: 0.24729504
• Molar Refractivity: 6.9343 cm^3
• Polarizability: 3.3780007 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true