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1184-54-9 molecular structure
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copper(2+) ion dimethanolate

ChemBase ID: 303076
Molecular Formular: C2H6CuO2
Molecular Mass: 125.61384
Monoisotopic Mass: 124.96637693
SMILES and InChIs

SMILES:
C[O-].C[O-].[Cu+2]
Canonical SMILES:
C[O-].C[O-].[Cu+2]
InChI:
InChI=1S/2CH3O.Cu/c2*1-2;/h2*1H3;/q2*-1;+2
InChIKey:
AYNQPTYHFBBKFC-UHFFFAOYSA-N

Cite this record

CBID:303076 http://www.chembase.cn/molecule-303076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion dimethanolate
IUPAC Traditional name
copper(2+) ion bis(methoxide)
Synonyms
Copper(II) methoxide
甲醇铜(II)
CAS Number
1184-54-9
MDL Number
MFCD00015611

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.775593  H Acceptors
H Donor LogD (pH = 5.5) -0.51857704 
LogD (pH = 7.4) -0.5185771  Log P -0.51857704 
Molar Refractivity 18.8116 cm3 Polarizability 2.9253356 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
ca 206°C dec. expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
UN Number
UN3181 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
11-22-36/37/38 expand Show data source
Safety Statements
16-26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H228-H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P280H-P305+P351+P338-P337+P313 expand Show data source
Purity
typically 98% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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