Home Carboxys 1,3-Acetonedicarboxylic acid

1,3-Acetonedicarboxylic acid

CAS No.:
542-05-2
Catalog Number:
AG0032L7
Molecular Formula:
C5H6O5
Molecular Weight:
146.0981
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$63
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0032L7
Chemical Name:
1,3-Acetonedicarboxylic acid
CAS Number:
542-05-2
Molecular Formula:
C5H6O5
Molecular Weight:
146.0981
MDL Number:
MFCD00002711
IUPAC Name:
3-oxopentanedioic acid
InChI:
InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChI Key:
OXTNCQMOKLOUAM-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)O)CC(=O)O
EC Number:
208-797-9
UNII:
IH7P7WO21P
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.022g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.098g/mol
Monoisotopic Mass:
146.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Ru-catalyzed asymmetric hydrogenation of 3-oxoglutaric acid derivatives via solvent-assisted pinpoint recognition of carbonyls in close chemical propinquity. Organic letters 20110805
Methyl 6-methoxy-carbonyl-methyl-2-oxo-4-phenyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20080901
Carbon dioxide evolution in a Belousov-Zhabotinsky type oscillating reaction with acetonedicarboxylic acid. The journal of physical chemistry. A 20071011
Retention studies on uranium, thorium and lanthanides with amide modified reverse phase support and its applications. Journal of chromatography. A 20070713
Photoreactivity of iron(III)-aerobactin: photoproduct structure and iron(III) coordination. Inorganic chemistry 20060724
Efficient synthesis of a trisubstituted 1,6-naphthyridone from acetonedicarboxylate and regioselective Suzuki arylation. The Journal of organic chemistry 20051209
Photodegradation of a ternary iron(III)-uranium(VI)-citric acid complex. Environmental science & technology 20020501
2-Oxoglutarate increases the binding affinity of the NtcA (nitrogen control) transcription factor for the Synechococcus glnA promoter. FEBS letters 20020213
Properties