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14922-36-2 | Benzeneacetic acid, 4-nitro-α-oxo-
CAS No: 14922-36-2 Catalog No: AG001LHM MDL No:MFCD00051744
Product Description
Catalog Number:
AG001LHM
Chemical Name:
Benzeneacetic acid, 4-nitro-α-oxo-
CAS Number:
14922-36-2
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD00051744
IUPAC Name:
2-(4-nitrophenyl)-2-oxoacetic acid
InChI:
InChI=1S/C8H5NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4H,(H,11,12)
InChI Key:
RREPYIWLDJQENS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.13g/mol
Monoisotopic Mass:
195.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A novel extracellular Hsp90 mediated co-receptor function for LRP1 regulates EphA2 dependent glioblastoma cell invasion. | PloS one 20110101 |
| Copper/alpha-ketocarboxylate chemistry with supporting peralkylated diamines: reactivity of copper(I) complexes and dicopper-oxygen intermediates. | Inorganic chemistry 20100405 |
| Structural and kinetic analysis of catalysis by a thiamin diphosphate-dependent enzyme, benzoylformate decarboxylase. | Biochemistry 20030225 |
| alpha-Ketocarboxylic acid-based inhibitors of protein tyrosine phosphatases. | Bioorganic & medicinal chemistry letters 20010723 |
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