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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 | COC1=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCN3CCNCC3)O |
|---|---|
| IUPAC Name | 3-hydroxy-5-(4-methoxyphenyl)-2-(2-piperazin-1-ylethyliminomethyl)cyclohex-2-en-1-one |
| InChIKey | QNDGQLIBDKKHJR-UHFFFAOYSA-N |
| INCHI | 1S/C20H27N3O3/c1-26-17-4-2-15(3-5-17)16-12-19(24)18(20(25)13-16)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,16,21,24H,6-13H2,1H3 |
| PubChem CID | 135426194 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 357.400 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 357.205 Da |
| Monoisotopic Mass | 357.205 Da |
| Topological Polar Surface Area | 74.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 532.000 |
| 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 |