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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=CC=C(C=C1)C2CC(=C(C(=O)C2)C=NCCN3CCNCC3)O |
|---|---|
| IUPAC Name | 3-hydroxy-5-(4-methylphenyl)-2-(2-piperazin-1-ylethyliminomethyl)cyclohex-2-en-1-one |
| InChIKey | VYWCIYQJPIVVJH-UHFFFAOYSA-N |
| INCHI | 1S/C20H27N3O2/c1-15-2-4-16(5-3-15)17-12-19(24)18(20(25)13-17)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,17,21,24H,6-13H2,1H3 |
| PubChem CID | 135403263 |
| Molecular Weight | 341.46 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 341.400 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 341.21 Da |
| Monoisotopic Mass | 341.21 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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 |