| CAS Number | 1206894-79-2 |
| Catalog Number | AG01E853 |
| Chemical Name | 3-(5-hydroxy-1,2,4-oxadiazol-3-yl)benzoic acid |
| IUPAC Name | 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzoic acid |
| InChI | InChI=1S/C9H6N2O4/c12-8(13)6-3-1-2-5(4-6)7-10-9(14)15-11-7/h1-4H,(H,12,13)(H,10,11,14) |
| InChI Key | GONPIMOBFQZFNS-UHFFFAOYSA-N |
| MDL Number | MFCD30750077 |
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.1549 |
| SMILES | OC(C1=CC(C2N=C(O)ON=2)=CC=C1)=O |
| Synonyms | 3-(5-Hydroxy-1,2,4-oxadiazol-3-yl)benzoic acid,
1206894-79-2,
ZINC82563981,
AKOS013059311,
Z2350905882,
|
| Complexity | 326 |
| 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 |
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