Home Carboxys 5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid

5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid

CAS No.:
33282-16-5
Catalog Number:
AG003M65
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG003M65
Chemical Name:
5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid
CAS Number:
33282-16-5
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD02130994
IUPAC Name:
5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-6-9(11(13)14)12-16-10/h2-6H,1H3,(H,13,14)
InChI Key:
YIQABFVYNGOELP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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
Properties