Home Nitro Compounds 5461-32-5
5461-32-5,MFCD00007191
Catalog No.:AA003HQB
5461-32-5 | 2-Nitrophenylpyruvic acid
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1g
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  • Technical Information
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Technical Information
Catalog Number:
AA003HQB
Chemical Name:
2-Nitrophenylpyruvic acid
CAS Number:
5461-32-5
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
MDL Number:
MFCD00007191
IUPAC Name:
3-(2-nitrophenyl)-2-oxopropanoic acid
InChI:
InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-3-1-2-4-7(6)10(14)15/h1-4H,5H2,(H,12,13)
InChI Key:
CGCWRLDEYHZQCW-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
EC Number:
226-746-9
NSC Number:
5598
Properties
Computed Properties
 
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-nitrophenylpyruvic acid 
o-nitrophenylpyruvic acid 
N-5060 
2-Nitrephenylpyruric acid 
NSC 5598 
EINECS 226-746-9 
ACMC-1AVCT 
AI3-23879 
AC1Q5BXI 
Benzenepropanoic acid, 2-nitro-.alpha.-oxo- 
o-nitrophenyl pyruvic acid 
2-nitrophenyl pyruvic acid 
ortho-nitrophenylpyruvic acid 
AC1L2XP9 
AC1Q71MB 
o-Nitrophenylbrenztraubensaure 
CBDivE_016082 
SCHEMBL258555 
AMBZ0318 
CHEMBL3247418 
2-Nitrophenylpyruvic acid, 99% 
CTK3J3228 
DTXSID70203041 
2-Nitrophenylpyruvic acid 
NSC5598 
CGCWRLDEYHZQCW-UHFFFAOYSA-N 
NSC-5598 
ZINC1687032 
ARJ102872 
SBB057620 
2-nitro-alpha-oxobenzenepropanoic acid 
AKOS003620372 
alpha-oxo-2-nitrobenzenepropanoic acid 
AM85812 
5461-32-5 
BBV-027563 
CHM0021648 
MCULE-8971118618 
RTC-020200 
TRA0040992 
VZ34791 
2-nitro -alpha-oxobenzenepropanoic acid 
3-(2-nitrophenyl)-2-oxo propionic acid 
3-(2-nitrophenyl)-2-oxo-propanoic acid 
AJ-29882 
3-(2-nitrophenyl)-2-oxopropanoic acid 
SC-18500 
U083 
3-(2-Nitro-phenyl)-2-oxo-propionic acid 
Benzenepropanoic acid, 2-nitro-alpha-oxo- 
AX8021369 
TC-020200 
FT-0635739 
ST50319689 
A24274 
SR-01000005249 
(2-Nitrophenyl)pyruvic acid 
I01-6376 
SR-01000005249-1 
C9H7NO5 
C9-H7-N-O5 
CID79583 
AR-1E6392 
56348-78-8 
Pyruvic acid, (o-nitrophenyl)- 
3-(2-nitrophenyl)pyruvic acid 
o-NITROPHENYLPYRUVIC ACID 
Literature

Title: Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents.

Journal: Nature chemistry 20141001

Title: Asymmetric organocatalytic direct aldol reactions of ketones with alpha-keto acids and their application to the synthesis of 2-hydroxy-gamma-butyrolactones.

Journal: The Journal of organic chemistry 20071221

Title: Iron-catalyzed C2-C3 bond cleavage of phenylpyruvate with O2: insight into aliphatic C-C bond-cleaving dioxygenases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: The amide hydrogen of (-)-indolactam-V and benzolactam-V8's plays a critical role in protein kinase C binding and tumor-promoting activities.

Journal: Bioorganic & medicinal chemistry letters 20010312

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