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3209-71-0

3209-71-0 | 1,2-Oxazole-3-carboxylic acid

CAS No: 3209-71-0 Catalog No: AG003823 MDL No:MFCD06738796

Product Description

Catalog Number:
AG003823
Chemical Name:
1,2-Oxazole-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

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