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≥97% 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 | CCCCC1=CC=C(C=C1)C2CC2C(=O)OCC |
|---|---|
| IUPAC Name | ethyl 2-(4-butylphenyl)cyclopropane-1-carboxylate |
| InChIKey | DAKCGYYTKMEBBB-UHFFFAOYSA-N |
| INCHI | 1S/C16H22O2/c1-3-5-6-12-7-9-13(10-8-12)14-11-15(14)16(17)18-4-2/h7-10,14-15H,3-6,11H2,1-2H3 |
| Isomeric SMILES | CCCCC1=CC=C(C=C1)C2CC2C(=O)OCC |
| PubChem CID | 17024637 |
| Molecular Weight | 246.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 246.340 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 246.162 Da |
| Monoisotopic Mass | 246.162 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |