| CAS Number | 340736-83-6 |
| Catalog Number | AG01AATO(AGN-PC-0WOANA) |
| Chemical Name | 4-(1,2,4-Oxadiazol-3-yl)benzoic acid |
| IUPAC Name | 4-(1,2,4-oxadiazol-3-yl)benzoic acid |
| InChI | InChI=1S/C9H6N2O3/c12-9(13)7-3-1-6(2-4-7)8-10-5-14-11-8/h1-5H,(H,12,13) |
| InChI Key | SNWYSDYAFFVDKV-UHFFFAOYSA-N |
| MDL Number | MFCD13881231 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | O=C(O)C1=CC=C(C2=NOC=N2)C=C1 |
| Synonyms | 4-(1,2,4-oxadiazol-3-yl)benzoic Acid,
340736-83-6,
AC1Q735E,
SCHEMBL15515155,
SNWYSDYAFFVDKV-UHFFFAOYSA-N,
ALBB-032180,
MFCD13881231,
ZINC20159636,
AKOS008146622,
MCULE-1058880079,
NE22357,
4-[1,2,4]oxadiazol-3-yl-benzoic acid,
BS-13977,
EN300-69537,
CID10797733,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number