Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) 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 | COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 5-[[3-[[3,5-bis(methoxycarbonyl)phenoxy]methyl]-5-hydroxyphenyl]methoxy]benzene-1,3-dicarboxylate |
| InChIKey | USUINPRIDFWVMZ-UHFFFAOYSA-N |
| INCHI | 1S/C28H26O11/c1-34-25(30)18-8-19(26(31)35-2)11-23(10-18)38-14-16-5-17(7-22(29)6-16)15-39-24-12-20(27(32)36-3)9-21(13-24)28(33)37-4/h5-13,29H,14-15H2,1-4H3 |
| Isómeros SMILES | COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)O)COC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)OC |
| Peso molecular | 538.51 |
| Reaxy-Rn | 7505047 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7505047&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | m-Phthalate esters |
| Alternative Parents | M-phthalic acid and derivatives Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Solubilidad | soluble in chloroform |
|---|---|
| Punto de fusión (°C) | 163 °C |
| Peso molecular | 538.500 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 14 |
| Exact Mass | 538.148 Da |
| Monoisotopic Mass | 538.148 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 731.000 |
| 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 |