| CAS Number | 1565976-13-7 |
| Catalog Number | AG01B5QV |
| Chemical Name | Methyl 5-Tert-Butyl-1,3,4-Oxadiazole-2-Carboxylate |
| IUPAC Name | methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate |
| InChI | InChI=1S/C8H12N2O3/c1-8(2,3)7-10-9-5(13-7)6(11)12-4/h1-4H3 |
| InChI Key | DTQGRCCICURYSO-UHFFFAOYSA-N |
| MDL Number | MFCD26058698 |
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.1925 |
| SMILES | O=C(C1=NN=C(C(C)(C)C)O1)OC |
| Synonyms | methyl 5-tert-butyl-1,3,4-oxadiazole-2-carboxylate,
1565976-13-7,
SCHEMBL17645774,
DTQGRCCICURYSO-UHFFFAOYSA-N,
AKOS033516146,
ZINC159291039,
Z1664865984,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.195g/mol |
| Monoisotopic Mass | 184.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number