≥95% 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.
| Pubchem Sid | 488201508 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201508 |
| Canonical Smiles | C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O |
| IUPAC Name | 4-oxopyran-2,6-dicarboxylic acid;hydrate |
| InChIKey | KJZJAKSEIQOKAK-UHFFFAOYSA-N |
| INCHI | 1S/C7H4O6.H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2 |
| Isomeric SMILES | C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O |
| RTECS | UP7350000 |
| Molecular Weight | 202.12 |
| Beilstein | 18490 |
| Reaxy-Rn | 38165073 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38165073&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 | Organoheterocyclic compounds |
| Class | Pyrans |
| Subclass | Pyranones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranones and derivatives |
| Alternative Parents | Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyranone - Heteroaromatic compound - Cyclic ketone - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2326435 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| D2326452 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| D2326453 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| D2326454 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| D2326457 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| D2326458 | Certificate of Analysis | Mar 29, 2023 | C153429 |
| Molecular Weight | 202.120 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 202.011 Da |
| Monoisotopic Mass | 202.011 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 | 2 |
