Home Other Building Blocks 4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid

4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid

CAS No.:
189365-92-2
Catalog Number:
AG01AGOG
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
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Product Description
Catalog Number:
AG01AGOG
Chemical Name:
4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number:
189365-92-2
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD18089501
IUPAC Name:
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzoic acid
InChI:
InChI=1S/C9H6N2O4/c12-8(13)6-3-1-5(2-4-6)7-10-9(14)15-11-7/h1-4H,(H,12,13)(H,10,11,14)
InChI Key:
AIHHXKBESQKXFV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1noc(=O)[nH]1
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties