Home Other Building Blocks 3-(1,3,4-oxadiazol-2-yl)benzoic acid

3-(1,3,4-oxadiazol-2-yl)benzoic acid

CAS No.:
1176505-26-2
Catalog Number:
AG019VJ5
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
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Product Description
Catalog Number:
AG019VJ5
Chemical Name:
3-(1,3,4-oxadiazol-2-yl)benzoic acid
CAS Number:
1176505-26-2
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD11935183
IUPAC Name:
3-(1,3,4-oxadiazol-2-yl)benzoic acid
InChI:
InChI=1S/C9H6N2O3/c12-9(13)7-3-1-2-6(4-7)8-11-10-5-14-8/h1-5H,(H,12,13)
InChI Key:
MJPAHMZEXVECGY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nnco1
Properties
Complexity:
222  
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:
0.9  
Properties