≥98% 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.
| Sonrisas canónicas | CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C |
|---|---|
| IUPAC Name | methyl 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate |
| InChIKey | VSMOGQLTPWIBNI-UHFFFAOYSA-N |
| INCHI | 1S/C25H30O2/c1-16-14-21-22(25(5,6)13-12-24(21,3)4)15-20(16)17(2)18-8-10-19(11-9-18)23(26)27-7/h8-11,14-15H,2,12-13H2,1,3-7H3 |
| Isómeros SMILES | CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C |
| Peso molecular | 362.51 |
| Reaxy-Rn | 7045162 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7045162&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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Prenol lipids |
| Subclass | Retinoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retinoids |
| Alternative Parents | Sesquiterpenoids Tetralins Benzoic acid esters Styrenes Benzoyl derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Bexarotene - Sesquiterpenoid - Bisabolane sesquiterpenoid - Benzoate ester - Tetralin - Benzoic acid or derivatives - Benzoyl - Styrene - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. |
| External Descriptors | Not available |
| Peso molecular | 362.500 g/mol |
|---|---|
| XLogP3 | 7.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 362.225 Da |
| Monoisotopic Mass | 362.225 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 565.000 |
| 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 |
