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112712-64-8 molecular structure
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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 and InChIs

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

Cite this record

CBID:149596 http://www.chembase.cn/molecule-149596.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
112712-64-8
MDL Number
MFCD00274336
PubChem SID
162243759
24869520
PubChem CID
16717638

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
459208 external link Add to cart Please log in.
Data Source Data ID
PubChem 16717638 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.819928  H Acceptors
H Donor LogD (pH = 5.5) 4.878179 
LogD (pH = 7.4) 4.8765545  Log P 4.8782 
Molar Refractivity 106.3024 cm3 Polarizability 36.43892 Å3
Polar Surface Area 83.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
180 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C6H12GeK2O6 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 459208 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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