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14284-89-0 molecular structure
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4-({bis[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one

ChemBase ID: 148556
Molecular Formular: C15H21MnO6
Molecular Mass: 352.261689
Monoisotopic Mass: 352.07185849
SMILES and InChIs

SMILES:
C/C(=C/C(=O)C)/O[Mn](O/C(=C\C(=O)C)/C)O/C(=C/C(=O)C)/C
Canonical SMILES:
C/C(=C/C(=O)C)/O[Mn](O/C(=C/C(=O)C)/C)O/C(=C\C(=O)C)/C
InChI:
InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
InChIKey:
HYZQBNDRDQEWAN-UHFFFAOYSA-K

Cite this record

CBID:148556 http://www.chembase.cn/molecule-148556.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({bis[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
IUPAC Traditional name
4-({bis[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
Synonyms
Mn(acac)3
2,4-Pentanedione manganese(III) derivative
Manganic acetylacetonate
Manganese(III) acetylacetonate
2,4-戊二酮 锰(III) 衍生物
乙酰丙酮锰
乙酰丙酮锰(III)
CAS Number
14284-89-0
EC Number
238-188-3
MDL Number
MFCD00000023
PubChem SID
162242731
24896721
PubChem CID
71311349

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71311349 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.943684  H Acceptors
H Donor LogD (pH = 5.5) 0.3069 
LogD (pH = 7.4) 0.3069  Log P 0.3069 
Molar Refractivity 82.2747 cm3 Polarizability 33.36007 Å3
Polar Surface Area 78.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
159-161 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95% (KT) expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
Mn(C5H7O2)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M2284 external link
Application
Oxidant used to oxidize phenols, β-dicarbonyl compounds, and thiols.
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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