| CAS Number | 933685-25-7 |
| Catalog Number | AG01AHR9 |
| Chemical Name | 3-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]propanoic acid |
| IUPAC Name | 3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanoic acid |
| InChI | InChI=1S/C10H9N3O3/c14-9(15)5-4-8-12-13-10(16-8)7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15) |
| InChI Key | UZSDZFKFFIUXJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11107680 |
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.1968 |
| SMILES | OC(CCC1OC(C2=NC=CC=C2)=NN=1)=O |
| Synonyms | 3-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]propanoic acid,
933685-25-7,
ZINC19780304,
AKOS010130493,
MCULE-7979070366,
NE58348,
EN300-75556,
Z1259335786,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.2g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number