dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid

• ChemBase ID: 126093
• Molecular Formular: C10H4O10
• Molecular Mass: 284.13276
• Monoisotopic Mass: 283.98044633
• SMILES: C1(=C(C(=O)C(=C(C1=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C1=C(C(=O)O)C(=O)C(=C(C1=O)C(=O)O)C(=O)O
• InChI: InChI=1S/C10H4O10/c11-5-1(7(13)14)2(8(15)16)6(12)4(10(19)20)3(5)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)
• InChIKey: DMCTUEIMZPODLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid
• IUPAC Traditional name: dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid
• Synonyms: Benzoquinonetetracarboxylic acid

Database IDs

• PubChem SID: 162220434
• PubChem CID: 350050
• Chemspider ID: 310781
• Wikipedia Title: Benzoquinonetetracarboxylic_acid

CALCULATED PROPERTIES

• Acid pKa: 1.6979994
• H Acceptors: 10
• H Donor: 4
• LogD (pH = 5.5): -12.250082
• LogD (pH = 7.4): -14.659047
• Log P: -0.62691385
• Molar Refractivity: 55.326 cm^3
• Polarizability: 20.903185 Å^3
• Polar Surface Area: 183.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true