analytical standard, ≥98% Analytical standard 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC |
|---|---|
| IUPAC Name | 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid |
| InChIKey | MIJKZXWOOXIEEU-UHFFFAOYSA-N |
| INCHI | 1S/C20H22O7/c1-9-8-14(11(3)17(21)15(9)19(22)23)27-20(24)16-10(2)7-13(25-5)12(4)18(16)26-6/h7-8,21H,1-6H3,(H,22,23) |
| Isomeric SMILES | CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC |
| PubChem CID | 94870 |
| Molecular Weight | 374.4 |
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 | Phenylpropanoids and polyketides |
| Class | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | P-methoxybenzoic acids and derivatives O-methoxybenzoic acids and derivatives Benzoic acid esters Salicylic acids Dimethoxybenzenes Phenol esters p-Xylenols Benzoic acids Anisoles p-Xylenes Benzoyl derivatives Phenoxy compounds Meta cresols Ortho cresols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acid esters Carboxylic acids Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Depside backbone - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Hydroxybenzoic acid - Phenol ester - Salicylic acid or derivatives - Salicylic acid - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid - P-xylenol - Xylenol - Benzoic acid or derivatives - P-xylene - Xylene - Methoxybenzene - Benzoyl - Phenoxy compound - Anisole - M-cresol - O-cresol - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| External Descriptors | Not available |
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| Molecular Weight | 374.400 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 374.137 Da |
| Monoisotopic Mass | 374.137 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 536.000 |
| 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 |
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