dipotassium 2-{[2-(2-oxidophenoxy)-2H-1,3,2-benzodioxagermol-2-yl]oxy}benzen-1-olate

• ChemBase ID: 149596
• Molecular Formular: C18H12GeK2O6
• Molecular Mass: 475.12088
• Monoisotopic Mass: 475.91197846
• SMILES: c1ccc(c(c1)[O-])O[Ge]1(Oc2ccccc2O1)Oc1ccccc1[O-].[K+].[K+]
• Canonical SMILES: [O-]c1ccccc1O[Ge]1(Oc2c(O1)cccc2)Oc1ccccc1[O-].[K+].[K+]
• InChI: InChI=1S/C18H14GeO6.2K/c20-13-7-1-3-9-15(13)22-19(23-16-10-4-2-8-14(16)21)24-17-11-5-6-12-18(17)25-19;;/h1-12,20-21H;;/q;2*+1/p-2
• InChIKey: HGWKPVSAPHGHAV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 2-{[2-(2-oxidophenoxy)-2H-1,3,2-benzodioxagermol-2-yl]oxy}benzen-1-olate
• IUPAC Traditional name: dipotassium 2-{[2-(2-oxidophenoxy)-1,3,2-benzodioxagermol-2-yl]oxy}benzenolate
• Synonyms: Dipotassium tris(1,2-benzenediolato-O,O′)germanate; 三(1,2-苯二醇酸根-O,O′)锗酸二钾

Database IDs

• CAS Number: 112712-64-8
• MDL Number: MFCD00274336
• PubChem SID: 162243759; 24869520
• PubChem CID: 16717638

CALCULATED PROPERTIES

• Acid pKa: 9.819928
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.878179
• LogD (pH = 7.4): 4.8765545
• Log P: 4.8782
• Molar Refractivity: 106.3024 cm^3
• Polarizability: 36.43892 Å^3
• Polar Surface Area: 83.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H12GeK2O6

DETAILS

Sigma Aldrich - 459208

Packaging
10 g in glass bottle