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14024-58-9 molecular structure
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manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)

ChemBase ID: 109643
Molecular Formular: C10H14MnO4
Molecular Mass: 253.153809
Monoisotopic Mass: 253.02725403
SMILES and InChIs

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

Cite this record

CBID:109643 http://www.chembase.cn/molecule-109643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
manganese(2+) ion bis(4-oxopent-2-en-2-olate)
IUPAC Traditional name
manganese(2+) ion bis((2Z)-4-oxopent-2-en-2-olate)
manganese(II) bis(4-oxopent-2-en-2-olate)
Synonyms
Manganese(II) acetylacetonate
Manganese(II) 2,4-pentanedionate
MANGANOUS ACETYLACETONATE
乙酰丙酮锰(II)
CAS Number
14024-58-9
EC Number
237-858-2
MDL Number
MFCD00000022
PubChem SID
162096272
PubChem CID
5486777

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5486777 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.890059  H Acceptors
H Donor LogD (pH = 5.5) 0.34448203 
LogD (pH = 7.4) 0.34309724  Log P 0.3444997 
Molar Refractivity 39.1896 cm3 Polarizability 10.113493 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)
Melting Point
260-262°C dec. expand Show data source
Density
1.60 expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38-40 expand Show data source
Safety Statements
26-36/37 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
H351-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211998 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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