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Home Carboxys 5-Phenyl-isoxazole-3-carboxylic acid methyl ester

5-Phenyl-isoxazole-3-carboxylic acid methyl ester

CAS No.:
51677-09-9
Catalog Number:
AG003RY6
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Purity
Availability
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5g
>97%
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United States
$186
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Product Description
Catalog Number:
AG003RY6
Chemical Name:
5-Phenyl-isoxazole-3-carboxylic acid methyl ester
CAS Number:
51677-09-9
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD02159553
IUPAC Name:
methyl 5-phenyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
XMPLCJOQBDGMKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccccc1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
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