Home Other Building Blocks 4-(1,2,4-oxadiazol-5-yl)benzoic acid

4-(1,2,4-oxadiazol-5-yl)benzoic acid

CAS No.:
1557358-41-4
Catalog Number:
AG01EK8E
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
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Product Description
Catalog Number:
AG01EK8E
Chemical Name:
4-(1,2,4-oxadiazol-5-yl)benzoic acid
CAS Number:
1557358-41-4
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD17251872
IUPAC Name:
4-(1,2,4-oxadiazol-5-yl)benzoic acid
InChI:
InChI=1S/C9H6N2O3/c12-9(13)7-3-1-6(2-4-7)8-10-5-11-14-8/h1-5H,(H,12,13)
InChI Key:
DDZCSSHGLGUUOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ncno1
Properties
Complexity:
214  
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:
1.3  
Properties