≥97% 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.
| Sonrisas canónicas | C1=CC=C(C=C1)C(=O)OCC2C(C(C=CO2)O)O |
|---|---|
| IUPAC Name | [(2R,3S,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl benzoate |
| InChIKey | DIEYDTYJOXFFJG-UTUOFQBUSA-N |
| INCHI | 1S/C13H14O5/c14-10-6-7-17-11(12(10)15)8-18-13(16)9-4-2-1-3-5-9/h1-7,10-12,14-15H,8H2/t10-,11-,12+/m1/s1 |
| Isómeros SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C=CO2)O)O |
| WGK Alemania | 3 |
| PubChem CID | 14308105 |
| Peso molecular | 250.25 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
| Peso molecular | 250.250 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.084 Da |
| Monoisotopic Mass | 250.084 Da |
| Topological Polar Surface Area | 76.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
