dipotassium tetraoxocyclohex-1-ene-1,2-bis(olate)

• ChemBase ID: 108152
• Molecular Formular: C6K2O6
• Molecular Mass: 246.2572
• Monoisotopic Mass: 245.89690108
• SMILES: [K+].[K+].[O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O
• Canonical SMILES: [O-]C1=C([O-])C(=O)C(=O)C(=O)C1=O.[K+].[K+]
• InChI: InChI=1S/C6H2O6.2K/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2
• InChIKey: NEWIILAQDSMNML-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium tetraoxocyclohex-1-ene-1,2-bis(olate)
• IUPAC Traditional name: dipotassium tetraoxocyclohex-1-ene-1,2-bis(olate); dipotassium ion tetraoxocyclohex-1-ene-1,2-bis(olate)
• Synonyms: 3,4,5,6-Tetraoxocyclohexene-1,2-diol dipotassium salt; Rhodizonic acid potassium salt; Potassium rhodizonate; POTASSIUM RHODIZONATE; 5,6-二羟基-5-环己烯-1,2,3,4-四酮 二钾盐; 玫棕酸 钾盐; 玫瑰红酸二钾盐

Database IDs

• CAS Number: 13021-40-4
• EC Number: 235-881-2
• MDL Number: MFCD00001649
• PubChem SID: 24864445; 162094050
• PubChem CID: 83051

CALCULATED PROPERTIES

• Acid pKa: 4.842358
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.40101516
• LogD (pH = 7.4): -2.1732438
• Log P: 0.34240055
• Molar Refractivity: 56.5878 cm^3
• Polarizability: 12.208769 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 85%
• Grade: technical grade
• Linear Formula: C6O6K2

DETAILS

MP Biomedicals - 05206254

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 392340

Packaging
5 g in glass bottle