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61789-51-3 molecular structure
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cobalt(2+) ion bis(naphthalene-2-carboxylate)

ChemBase ID: 106714
Molecular Formular: C22H14CoO4
Molecular Mass: 401.27736
Monoisotopic Mass: 401.02240393
SMILES and InChIs

SMILES:
[Co+2].[O-]C(=O)c1ccc2ccccc2c1.[O-]C(=O)c1ccc2ccccc2c1
Canonical SMILES:
[O-]C(=O)c1ccc2c(c1)cccc2.[O-]C(=O)c1ccc2c(c1)cccc2.[Co+2]
InChI:
InChI=1S/2C11H8O2.Co/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKey:
IFSWBZCGMGEHLE-UHFFFAOYSA-L

Cite this record

CBID:106714 http://www.chembase.cn/molecule-106714.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cobalt(2+) ion bis(naphthalene-2-carboxylate)
λ2-cobalt(2+) ion bis(naphthalene-2-carboxylate)
IUPAC Traditional name
cobalt(2+) bis(2-naphthoate)
λ2-cobalt(2+) ion bis(2-naphthoate)
Synonyms
COBALT NAPHTHENATE
Cobalt naphthenate
环烷酸钴
CAS Number
61789-51-3
EC Number
263-064-0
MDL Number
MFCD02094763
PubChem SID
162093199
PubChem CID
14048876

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14048876 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.9893572  H Acceptors
H Donor LogD (pH = 5.5) 1.1006031 
LogD (pH = 7.4) -0.5448371  Log P 2.6203055 
Molar Refractivity 60.6015 cm3 Polarizability 20.10069 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Dark Liquid expand Show data source
Flash Point
40°C(104°F) expand Show data source
RTECS
QK8925000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-40-43-65 expand Show data source
R:10-40-42/43-68 expand Show data source
Safety Statements
24-36/37-62 expand Show data source
S:16-24-36/37/39-45-53 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H304-H351-H226-H317-H303 expand Show data source
GHS Precautionary statements
P280H-P262-P301+P330+P331-P315 expand Show data source
Purity
Co 6%, approximately 53% in mineral spirits expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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