≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
| Canonical Smiles | C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)O |
|---|---|
| IUPAC Name | 4-oxo-5-phenylmethoxypyran-2-carboxylic acid |
| InChIKey | RGZZNPNSZZJJSH-UHFFFAOYSA-N |
| INCHI | 1S/C13H10O5/c14-10-6-11(13(15)16)18-8-12(10)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16) |
| Isomeric SMILES | C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)O |
| PubChem CID | 6480782 |
| Molecular Weight | 246.21 |
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 | Organoheterocyclic compounds |
| Class | Pyrans |
| Subclass | Pyranones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranones and derivatives |
| Alternative Parents | Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Cyclic ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2529527 | Certificate of Analysis | Aug 14, 2025 | O709898 |
| J2529528 | Certificate of Analysis | Aug 14, 2025 | O709898 |
| J2529529 | Certificate of Analysis | Aug 14, 2025 | O709898 |
| J2529530 | Certificate of Analysis | Aug 14, 2025 | O709898 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 246.210 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.053 Da |
| Monoisotopic Mass | 246.053 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| 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 |
