| CAS Number | 322725-59-7 |
| Catalog Number | AG019N4F |
| Chemical Name | 4-(5-Phenyl-1,3,4-oxadiazol-2-yl)butanoic acid |
| IUPAC Name | 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid |
| InChI | InChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-14-12(17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16) |
| InChI Key | WKTZMTARAUCRSD-UHFFFAOYSA-N |
| MDL Number | MFCD01244503 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | OC(CCCC1OC(C2=CC=CC=C2)=NN=1)=O |
| Synonyms | 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid,
322725-59-7,
AC1Q75EH,
Oprea1_721044,
CTK7J3346,
ZINC5685232,
AKOS008125561,
MCULE-2654154753,
NE28994,
EN300-39373,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number