| CAS Number | 1165931-66-7 |
| Catalog Number | AG019YO0 |
| Chemical Name | 4-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)benzoic acid |
| IUPAC Name | 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzoic acid |
| InChI | InChI=1S/C12H10N2O3/c15-12(16)9-5-3-8(4-6-9)11-13-10(14-17-11)7-1-2-7/h3-7H,1-2H2,(H,15,16) |
| InChI Key | XDMDJHYHYBFBIH-UHFFFAOYSA-N |
| MDL Number | MFCD17603895 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | OC(C1=CC=C(C2ON=C(C3CC3)N=2)C=C1)=O |
| Synonyms | 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)benzoic acid,
1165931-66-7,
MFCD17603895,
ZINC61811191,
AKOS012221923,
MCULE-2078003903,
NE34877,
AS-43778,
Z1357774242,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.223g/mol |
| Monoisotopic Mass | 230.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number