Home Other Building Blocks 2-Nitrophenylpyruvic acid

2-Nitrophenylpyruvic acid

CAS No.:
5461-32-5
Catalog Number:
AG003HT3
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$108
- +
5g
98%
In Stock USA
United States
$304
- +
Product Description
Catalog Number:
AG003HT3
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
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  
Literature
Title Journal
Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents. Nature chemistry 20141001
Asymmetric organocatalytic direct aldol reactions of ketones with alpha-keto acids and their application to the synthesis of 2-hydroxy-gamma-butyrolactones. The Journal of organic chemistry 20071221
Iron-catalyzed C2-C3 bond cleavage of phenylpyruvate with O2: insight into aliphatic C-C bond-cleaving dioxygenases. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
The amide hydrogen of (-)-indolactam-V and benzolactam-V8's plays a critical role in protein kinase C binding and tumor-promoting activities. Bioorganic & medicinal chemistry letters 20010312
Properties