Home Carboxys 3-Pyridin-4-yl-isoxazole-5-carboxylic acid

3-Pyridin-4-yl-isoxazole-5-carboxylic acid

CAS No.:
716362-05-9
Catalog Number:
AG00FEB8
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
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Product Description
Catalog Number:
AG00FEB8
Chemical Name:
3-Pyridin-4-yl-isoxazole-5-carboxylic acid
CAS Number:
716362-05-9
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD07701204
IUPAC Name:
3-pyridin-4-yl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H6N2O3/c12-9(13)8-5-7(11-14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChI Key:
NCEMWBWHXHUGKT-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)c1ccncc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties