oxirane-2,3-dione

• ChemBase ID: 128763
• Molecular Formular: C2O3
• Molecular Mass: 72.0196
• Monoisotopic Mass: 71.98474386
• SMILES: O=C1OC1=O
• Canonical SMILES: O=C1OC1=O
• InChI: InChI=1S/C2O3/c3-1-2(4)5-1
• InChIKey: PFPYHYZFFJJQFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxirane-2,3-dione
• IUPAC Traditional name: oxalic anhydride
• Synonyms: oxalic anhydride; ethanedioic anhydride; Oxalic anhydride

Database IDs

• CAS Number: 308818-63-5
• PubChem SID: 162223067
• PubChem CID: 23297885
• Chemspider ID: 13693079
• Wikipedia Title: Oxalic_anhydride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3370871
• LogD (pH = 7.4): 0.3370871
• Log P: 0.3370871
• Molar Refractivity: 11.2332 cm^3
• Polarizability: 4.807787 Å^3
• Polar Surface Area: 46.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true