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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)N=C(O2)C3=CC=CNC3=O |
|---|---|
| IUPAC Name | 3-(1,3-benzoxazol-2-yl)-1H-pyridin-2-one |
| InChIKey | IMBFGQSBFRQBTA-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N2O2/c15-11-8(4-3-7-13-11)12-14-9-5-1-2-6-10(9)16-12/h1-7H,(H,13,15) |
| PubChem CID | 135698694 |
| Molecular Weight | 212.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 212.200 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.059 Da |
| Monoisotopic Mass | 212.059 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 362.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |