Home Carboxys 5-o-tolylisoxazole-3-carboxylic acid

5-o-tolylisoxazole-3-carboxylic acid

CAS No.:
668970-80-7
Catalog Number:
AG00G1IC
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
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Product Description
Catalog Number:
AG00G1IC
Chemical Name:
5-o-tolylisoxazole-3-carboxylic acid
CAS Number:
668970-80-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD07377105
IUPAC Name:
5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H9NO3/c1-7-4-2-3-5-8(7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
InChI Key:
WYRHIMMIRUNJQP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1onc(c1)C(=O)O
Properties
Complexity:
244  
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