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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1(CCCNC1=O)C2=C(N=C(C=C2)Cl)OC |
|---|---|
| IUPAC Name | 3-(6-chloro-2-methoxypyridin-3-yl)-3-methylpiperidin-2-one |
| InChIKey | WAIMOOPDMOJEIR-UHFFFAOYSA-N |
| INCHI | 1S/C12H15ClN2O2/c1-12(6-3-7-14-11(12)16)8-4-5-9(13)15-10(8)17-2/h4-5H,3,6-7H2,1-2H3,(H,14,16) |
| Isomeric SMILES | CC1(CCCNC1=O)C2=C(N=C(C=C2)Cl)OC |
| PubChem CID | 117993133 |
| Molecular Weight | 254.71 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 254.710 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.082 Da |
| Monoisotopic Mass | 254.082 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |