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Home Carboxys Isoxazole-3-carboxylic acid

Isoxazole-3-carboxylic acid

CAS No.:
3209-71-0
Catalog Number:
AG003823
Molecular Formula:
C4H3NO3
Molecular Weight:
113.0715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$175
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003823
Chemical Name:
Isoxazole-3-carboxylic acid
CAS Number:
3209-71-0
Molecular Formula:
C4H3NO3
Molecular Weight:
113.0715
MDL Number:
MFCD06738796
IUPAC Name:
1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
InChI Key:
UXYRXGFUANQKTA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccon1
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.011g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.072g/mol
Monoisotopic Mass:
113.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Oxime-based click chemistry in the development of 3-isoxazolecarboxylic acid containing inhibitors of Yersinia pestis protein tyrosine phosphatase, YopH. ChemMedChem 20110801
An unnatural amino acid that mimics phosphotyrosine. Chemical communications (Cambridge, England) 20100507
Theoretical investigations of the photochemical isomerizations of indoxazene and isoxazole. The Journal of organic chemistry 20090821
Application of the Ugi reaction for the one-pot synthesis of uracil polyoxin C analogues. The Journal of organic chemistry 20090703
Properties