4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,5,8,11-tetrone

• ChemBase ID: 129800
• Molecular Formular: C8O8
• Molecular Mass: 224.0808
• Monoisotopic Mass: 223.95931696
• SMILES: c12c(C(=O)c3c(C1=O)oc(=O)o3)oc(=O)o2
• Canonical SMILES: O=C1c2oc(=O)oc2C(=O)c2c1oc(=O)o2
• InChI: InChI=1S/C8O8/c9-1-3-5(15-7(11)13-3)2(10)6-4(1)14-8(12)16-6
• InChIKey: KLJYZROROSJGHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6,10,12-tetraoxatricyclo[7.3.0.0^3,^7]dodeca-1(9),3(7)-diene-2,5,8,11-tetrone
• IUPAC Traditional name: 4,6,10,12-tetraoxatricyclo[7.3.0.0^3,^7]dodeca-1(9),3(7)-diene-2,5,8,11-tetrone
• Synonyms: Tetrahydroxy-1,4-benzoquinone biscarbonate

Database IDs

• PubChem SID: 162224088
• PubChem CID: 13382131
• Wikipedia Title: Tetrahydroxy-1,4-benzoquinone_biscarbonate

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0736072
• LogD (pH = 7.4): 1.0736072
• Log P: 1.0736072
• Molar Refractivity: 43.926 cm^3
• Polarizability: 16.429169 Å^3
• Polar Surface Area: 105.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true