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Home Carboxys Ethyl 5-phenylisoxazole-3-carboxylate

Ethyl 5-phenylisoxazole-3-carboxylate

CAS No.:
7063-99-2
Catalog Number:
AG003QCX
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$58
- +
1g
98%
In Stock USA
United States
$138
- +
5g
98%
In Stock USA
United States
$413
- +
10g
98%
In Stock USA
United States
$688
- +
25g
98%
In Stock USA
United States
$1375
- +
Product Description
Catalog Number:
AG003QCX
Chemical Name:
Ethyl 5-phenylisoxazole-3-carboxylate
CAS Number:
7063-99-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD01596796
IUPAC Name:
ethyl 5-phenyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
DSUXKYCDKKYGKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1)c1ccccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
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
Properties