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542-05-2 | Acetone-1,3-dicarboxylic acid
CAS No: 542-05-2 Catalog No: AG0032L7 MDL No:MFCD00002711
Product Description
Catalog Number:
AG0032L7
Chemical Name:
Acetone-1,3-dicarboxylic 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 |
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