Home Carboxys 5-P-Tolyl-isoxazole-3-carboxylic acid

5-P-Tolyl-isoxazole-3-carboxylic acid

CAS No.:
33282-21-2
Catalog Number:
AG00C7BM
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$155
- +
5g
≥ 98% (HPLC)
1 week
United States
$579
- +
Product Description
Catalog Number:
AG00C7BM
Chemical Name:
5-P-Tolyl-isoxazole-3-carboxylic acid
CAS Number:
33282-21-2
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD04969583
IUPAC Name:
5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
InChI Key:
DDCNRVJWVNUYDO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
236  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties