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Home Carboxys 5-Phenylisoxazole-3-carboxylic acid

5-Phenylisoxazole-3-carboxylic acid

CAS No.:
14441-90-8
Catalog Number:
AG001JI4
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$100
- +
10g
97%
In Stock USA
United States
$182
- +
25g
97%
In Stock USA
United States
$388
- +
100g
97%
In Stock USA
United States
$1075
- +
Product Description
Catalog Number:
AG001JI4
Chemical Name:
5-Phenylisoxazole-3-carboxylic acid
CAS Number:
14441-90-8
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00464221
IUPAC Name:
5-phenyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
XJYOBHXWBRKOQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(c1)c1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
AutoClickChem: click chemistry in silico. PLoS computational biology 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis of some 5-phenylisoxazole-3-carboxylic acid derivatives as potent xanthine oxidase inhibitors. European journal of medicinal chemistry 20100601
Rational design of 5-phenyl-3-isoxazolecarboxylic acid ethyl esters as growth inhibitors of Mycobacterium tuberculosis. a potent and selective series for further drug development. Journal of medicinal chemistry 20100128
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase. Antiviral chemistry & chemotherapy 20050101
Properties