Home Carboxys 5-(2-Methoxyphenyl)isoxazole-3-carboxylic acid

5-(2-Methoxyphenyl)isoxazole-3-carboxylic acid

CAS No.:
668971-16-2
Catalog Number:
AG006QA6
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG006QA6
Chemical Name:
5-(2-Methoxyphenyl)isoxazole-3-carboxylic acid
CAS Number:
668971-16-2
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD07377106
IUPAC Name:
5-(2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-15-9-5-3-2-4-7(9)10-6-8(11(13)14)12-16-10/h2-6H,1H3,(H,13,14)
InChI Key:
UDFIWFVAYAOMRF-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1onc(c1)C(=O)O
Properties
Complexity:
258  
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  
Properties