≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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.
| カノニカル・スマイル | C1CC(CC(=O)C1)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-phenylmethoxycyclohexan-1-one |
| InChIKey | DTRKMFPYPATAJO-UHFFFAOYSA-N |
| INCHI | 1S/C13H16O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2 |
| 異性体SMILES | C1CC(CC(=O)C1)OCC2=CC=CC=C2 |
| PubChem CID | 11333179 |
| 分子量 | 204.27 |
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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Cyclic ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylether - Cyclic ketone - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
| 分子量 | 204.260 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 204.115 Da |
| Monoisotopic Mass | 204.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
