| CAS Number | 949321-58-8 |
| Catalog Number | AG019KXH |
| Chemical Name | 3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid |
| IUPAC Name | 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoic acid |
| InChI | InChI=1S/C9H8N2O3S/c12-8(13)2-1-7-10-11-9(14-7)6-3-4-15-5-6/h3-5H,1-2H2,(H,12,13) |
| InChI Key | QSWZEGLBYPYKID-UHFFFAOYSA-N |
| MDL Number | MFCD09802093 |
| Molecular Formula | C9H8N2O3S |
| Molecular Weight | 224.2364 |
| SMILES | OC(CCC1OC(C2=CSC=C2)=NN=1)=O |
| Synonyms | 3-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]propanoic acid,
949321-58-8,
3-(5-thien-3-yl-1,3,4-oxadiazol-2-yl)propanoic acid,
AC1Q75BB,
CTK7J3214,
ZINC12505857,
AKOS009145571,
MCULE-9497132800,
NE34794,
EN300-28895,
Z235362719,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.234g/mol |
| Monoisotopic Mass | 224.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number