| CAS Number | 874815-89-1 |
| Catalog Number | AG019N2N(AGN-PC-0WO2IU) |
| Chemical Name | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
| IUPAC Name | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
| InChI | InChI=1S/C9H14N2O3/c1-9(2,3)8-10-6(14-11-8)4-5-7(12)13/h4-5H2,1-3H3,(H,12,13) |
| InChI Key | VKXWNDWYGSUDQN-UHFFFAOYSA-N |
| MDL Number | MFCD06408966 |
| Molecular Formula | C9H14N2O3 |
| Molecular Weight | 198.2191 |
| SMILES | CC(C1N=C(CCC(O)=O)ON=1)(C)C |
| Synonyms | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid,
874815-89-1,
3-(3-(tert-Butyl)-1,2,4-oxadiazol-5-yl)propanoic acid,
AC1Q1MEM,
CTK7J3229,
ZINC26516718,
AKOS009279138,
MCULE-3315185722,
NE37200,
EN300-39234,
Z1172068149,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.222g/mol |
| Monoisotopic Mass | 198.1g/mol |
| Rotatable Bond Count | 4 |
| 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