1H,3H,4H,6H-furo[3,4-c]furan-1,3,4,6-tetrone

• ChemBase ID: 127345
• Molecular Formular: C6O6
• Molecular Mass: 168.0606
• Monoisotopic Mass: 167.96948772
• SMILES: O=c1c2=c(c(=O)oc2=O)c(=O)o1
• Canonical SMILES: O=c1oc(=O)c2=c1c(=O)oc2=O
• InChI: InChI=1S/C6O6/c7-3-1-2(5(9)11-3)6(10)12-4(1)8
• InChIKey: GBASTSRAHRGUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,3H,4H,6H-furo[3,4-c]furan-1,3,4,6-tetrone
• IUPAC Traditional name: furo[3,4-c]furan-1,3,4,6-tetrone
• Synonyms: Ethylenetetracarboxylic dianhydride

Database IDs

• CAS Number: 15016-12-3
• PubChem SID: 162221666
• PubChem CID: 12651153
• Wikipedia Title: Ethylenetetracarboxylic_dianhydride

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.59808415
• LogD (pH = 7.4): -0.59808415
• Log P: -0.59808415
• Molar Refractivity: 30.3448 cm^3
• Polarizability: 12.208769 Å^3
• Polar Surface Area: 86.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true