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123334-29-2 molecular structure
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4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one hydrate

ChemBase ID: 151174
Molecular Formular: C10H16CoO5
Molecular Mass: 275.16424
Monoisotopic Mass: 275.03296861
SMILES and InChIs

SMILES:
C/C(=C\C(=O)C)/O[Co]O/C(=C/C(=O)C)/C.O
Canonical SMILES:
C/C(=C\C(=O)C)/O[Co]O/C(=C/C(=O)C)/C.O
InChI:
InChI=1S/2C5H8O2.Co.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2
InChIKey:
CCSRIPNIKKQYHL-UHFFFAOYSA-L

Cite this record

CBID:151174 http://www.chembase.cn/molecule-151174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one hydrate
IUPAC Traditional name
4-({[(4-oxopent-2-en-2-yl)oxy]cobaltio}oxy)pent-3-en-2-one hydrate
Synonyms
Cobalt(II) acetylacetonate hydrate
乙酰丙酮钴(II) 水合物
CAS Number
123334-29-2
EC Number
237-855-6
MDL Number
MFCD00149056
PubChem SID
162245331
24861267
PubChem CID
71311503

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
344613 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311503 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.13614  H Acceptors
H Donor LogD (pH = 5.5) 0.3046 
LogD (pH = 7.4) 0.3046  Log P 0.3046 
Molar Refractivity 54.8498 cm3 Polarizability 23.404282 Å3
Polar Surface Area 52.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
20/21/22-40-41 expand Show data source
Safety Statements
7-22-26-37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302 + H312 + H332-H318-H351 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Compostion
Degree of hydration, ~2 expand Show data source
Linear Formula
Co(C5H7O2)2 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 344613 external link
Packaging
50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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