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149-11-1 molecular structure
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copper(2+) ion bis(2-ethylhexanoate)

ChemBase ID: 303084
Molecular Formular: C16H30CuO4
Molecular Mass: 349.953
Monoisotopic Mass: 349.14400694
SMILES and InChIs

SMILES:
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+2]
Canonical SMILES:
CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Cu+2]
InChI:
InChI=1S/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey:
SEKCXMNFUDONGJ-UHFFFAOYSA-L

Cite this record

CBID:303084 http://www.chembase.cn/molecule-303084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion bis(2-ethylhexanoate)
IUPAC Traditional name
copper(2+) ion bis(2-ethylhexanoate)
Synonyms
Copper(II) 2-ethylhexanoate
二乙基己酸铜(II)
CAS Number
149-11-1
EC Number
205-731-0
MDL Number
MFCD00015695

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 20539 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.144522  H Acceptors
H Donor LogD (pH = 5.5) 2.2845745 
LogD (pH = 7.4) 0.563084  Log P 2.7984512 
Molar Refractivity 51.0862 cm3 Polarizability 15.86637 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder/Lump expand Show data source
Melting Point
252°C dec. expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-63 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H361-H302 expand Show data source
GHS Precautionary statements
P280H expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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