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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| 정식 스마일 | CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC |
|---|---|
| IUPAC Name | methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate |
| InChIKey | WSVAMWHCPDAWFM-UHFFFAOYSA-N |
| INCHI | 1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3 |
| 이성체 SMILES | CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC |
| PubChem CID | 534623 |
| 분자량 | 322.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| 분류 | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | Not available |
| 용해성 | DMSO : 15.62 mg/mL (48.43 mM; Need ultrasonic) |
|---|---|
| 분자량 | 322.500 g/mol |
| XLogP3 | 8.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 322.287 Da |
| Monoisotopic Mass | 322.287 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 339.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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