≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(C2CCC(C2)(C1=O)C)C |
|---|---|
| IUPAC Name | 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| InChIKey | LHXDLQBQYFFVNW-UHFFFAOYSA-N |
| INCHI | 1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 |
| Isomeric SMILES | CC1(C2CCC(C2)(C1=O)C)C |
| Molecular Weight | 152.23 |
| Reaxy-Rn | 1861492 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861492&ln= |
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 →| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 152.230 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.12 Da |
| Monoisotopic Mass | 152.12 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
| 1. Li Cui, Yongzhi Hua, Shuting Zou, Chao Gu, Hui Li. (2023) Combination of fenchone and sodium hyaluronate ameliorated constipation-predominant irritable bowel syndrome and underlying mechanisms. Chemical Biology & Drug Design, [PMID:38030381] [10.1111/cbdd.14397] |
| 2. Yajian Wu, Runhu Xin, Miao Liang, Wei Guan, Rui Wang, Zhiwei Miao, Yuping Liu. (2024) Characterization of the key odorants in Amomum tsao-ko cobs by sensory directed flavor analysis. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2024.111034] |
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