| CAS Number | 1951445-08-1 |
| Catalog Number | AG00I3D0(AGN-PC-0WR48J) |
| Chemical Name | tert-Butyl 2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxylate |
| IUPAC Name | tert-butyl 2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxylate |
| InChI | InChI=1S/C11H12N2O4/c1-11(2,3)17-10(15)13-8-7(16-9(13)14)5-4-6-12-8/h4-6H,1-3H3 |
| InChI Key | XIJVTOKTQHSINM-UHFFFAOYSA-N |
| MDL Number | MFCD00728679 |
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.2240 |
| SMILES | O=C(n1c(=O)oc2c1nccc2)OC(C)(C)C |
| Synonyms | tert-Butyl 2-oxo-[1,3]oxazolo[4,5-b]pyridine-3-carboxylate,
1951445-08-1,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.227g/mol |
| Monoisotopic Mass | 236.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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