cyclobutane-1,2,3,4-tetrone

• ChemBase ID: 126795
• Molecular Formular: C4O4
• Molecular Mass: 112.0404
• Monoisotopic Mass: 111.97965848
• SMILES: O=C1C(=O)C(=O)C1=O
• Canonical SMILES: O=C1C(=O)C(=O)C1=O
• InChI: InChI=1S/C4O4/c5-1-2(6)4(8)3(1)7
• InChIKey: KDAVZOLBYGNLGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutane-1,2,3,4-tetrone
• IUPAC Traditional name: cyclobutanetetrone
• Synonyms: Tetraoxocyclobutane; Cyclobutanetetrone

Database IDs

• CAS Number: 3617-57-0
• PubChem SID: 162221123
• PubChem CID: 5488007
• Chemspider ID: 24735246
• Wikipedia Title: Cyclobutanetetrone

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1568787
• LogD (pH = 7.4): 1.1568787
• Log P: 1.1568787
• Molar Refractivity: 21.384 cm^3
• Polarizability: 7.989413 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true