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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 | COC(=O)C12CCCC(CC1)(CC2)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl bicyclo[3.2.2]nonane-1,5-dicarboxylate |
| InChIKey | BCWFWKSMCATFDC-UHFFFAOYSA-N |
| INCHI | 1S/C13H20O4/c1-16-10(14)12-4-3-5-13(8-6-12,9-7-12)11(15)17-2/h3-9H2,1-2H3 |
| Isomeric SMILES | COC(=O)C12CCCC(CC1)(CC2)C(=O)OC |
| Molecular Weight | 240.2955 |
| Reaxy-Rn | 15522247 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15522247&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 240.290 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 240.136 Da |
| Monoisotopic Mass | 240.136 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |