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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 | CCOC(=O)C1CCC(CC1)O |
|---|---|
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChIKey | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| INCHI | 1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1CCC(CC1)O |
| Alternate CAS | 75877-66-6,17159-80-7,3618-04-0 |
| Molecular Weight | 172.22 |
| Reaxy-Rn | 1636885 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1636885&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 06, 2023 | C590101 | |
| Certificate of Analysis | Sep 06, 2023 | C590101 | |
| Certificate of Analysis | Sep 06, 2023 | C590101 | |
| Certificate of Analysis | Sep 06, 2023 | C590101 |
| Molecular Weight | 172.220 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 172.11 Da |
| Monoisotopic Mass | 172.11 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| 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 |