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542-05-2,MFCD00002711
Catalog No.:AA0032IF

542-05-2 | 1,3-Acetonedicarboxylic acid

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5g
95%
in stock  
$45.00   $32.00
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25g
95%
in stock  
$109.00   $77.00
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100g
>95.0%(T)
in stock  
$204.00   $143.00
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500g
>95.0%(T)
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$709.00   $497.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0032IF
Chemical Name:
1,3-Acetonedicarboxylic acid
CAS Number:
542-05-2
Molecular Formula:
C5H6O5
Molecular Weight:
146.0981
MDL Number:
MFCD00002711
SMILES:
O=C(CC(=O)O)CC(=O)O
Properties
Properties
 
BP:
408.4°C at 760 mmHg  
Form:
Solid  
MP:
133 °C (dec.)(lit.)  
Refractive Index:
1.3920 (estimate)  
Stability:
Hygroscopic  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
-0.7  

Literature

Title: Ru-catalyzed asymmetric hydrogenation of 3-oxoglutaric acid derivatives via solvent-assisted pinpoint recognition of carbonyls in close chemical propinquity.

Journal: Organic letters 20110805

Title: Methyl 6-methoxy-carbonyl-methyl-2-oxo-4-phenyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: Carbon dioxide evolution in a Belousov-Zhabotinsky type oscillating reaction with acetonedicarboxylic acid.

Journal: The journal of physical chemistry. A 20071011

Title: Retention studies on uranium, thorium and lanthanides with amide modified reverse phase support and its applications.

Journal: Journal of chromatography. A 20070713

Title: Photoreactivity of iron(III)-aerobactin: photoproduct structure and iron(III) coordination.

Journal: Inorganic chemistry 20060724

Title: Efficient synthesis of a trisubstituted 1,6-naphthyridone from acetonedicarboxylate and regioselective Suzuki arylation.

Journal: The Journal of organic chemistry 20051209

Title: Photodegradation of a ternary iron(III)-uranium(VI)-citric acid complex.

Journal: Environmental science & technology 20020501

Title: 2-Oxoglutarate increases the binding affinity of the NtcA (nitrogen control) transcription factor for the Synechococcus glnA promoter.

Journal: FEBS letters 20020213

Title: Sevcík P, et al. Carbon dioxide evolution in a Belousov-Zhabotinsky type oscillating reaction with acetonedicarboxylic acid. J Phys Chem A. 2007 Oct 11;111(40):10050-4.

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Tags:542-05-2 Molecular Formula|542-05-2 MDL|542-05-2 SMILES|542-05-2 1,3-Acetonedicarboxylic acid