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14024-58-9 molecular structure
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4-({[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one

ChemBase ID: 104283
Molecular Formular: C10H14MnO4
Molecular Mass: 253.153809
Monoisotopic Mass: 253.02725403
SMILES and InChIs

SMILES:
CC(=O)/C=C(\C)/O[Mn]O/C(=C/C(=O)C)/C
Canonical SMILES:
C/C(=C\C(=O)C)/O[Mn]O/C(=C/C(=O)C)/C
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:104283 http://www.chembase.cn/molecule-104283.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]manganio}oxy)pent-3-en-2-one
IUPAC Traditional name
4-({[(4-oxopent-2-en-2-yl)oxy]manganio}oxy)pent-3-en-2-one
Synonyms
Mn(acac)2
2,4-Pentanedione manganese(II) derivative
Manganese(II) acetylacetonate
Manganous acetylacetonate
MANGANESE ACETYLACETONATE
2,4-戊二酮 锰(II) 衍生物
双(2,4-戊二酮)锰
乙酰丙酮锰(II)
CAS Number
14024-58-9
EC Number
237-858-2
MDL Number
MFCD00000022
Beilstein Number
4157965
PubChem SID
162091514
24854756
PubChem CID
44630361

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44630361 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.13614  H Acceptors
H Donor LogD (pH = 5.5) 0.2546 
LogD (pH = 7.4) 0.2546  Log P 0.2546 
Molar Refractivity 54.8498 cm3 Polarizability 23.255634 Å3
Polar Surface Area 52.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
248-250 °C (dec.)(lit.) expand Show data source
261°C expand Show data source
Vapor Pressure
1 mm Hg at 1292 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
OO9350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 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
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
20/21/22-36/37/38-40 expand Show data source
R:36/37/38-58 expand Show data source
Safety Statements
26-36 expand Show data source
S:20-25-26-29-37/39-61 expand Show data source
EU Classification
M7 expand Show data source
EU Hazard Identification Number
13 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[CH3COCH=C(O)CH3]2Mn expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155333 external link
(Manganous acetylacetonate)
Sigma Aldrich - 245763 external link
Packaging
100 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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