≥97% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488184090 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184090 |
| Canonical Smiles | C1=CC(=O)OC=C1C(=O)O |
| IUPAC Name | 6-oxopyran-3-carboxylic acid |
| InChIKey | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
| INCHI | 1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9) |
| Isomeric SMILES | C1=CC(=O)OC=C1C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 140.09 |
| Beilstein | 119747 |
| Reaxy-Rn | 119747 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119747&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 Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyranone - Heteroaromatic compound - Lactone - Oxacycle - Monocarboxylic acid or derivatives - 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 |
|---|---|---|---|
 H2528047 | Certificate of Analysis | Aug 30, 2025 | C153427 |
| G2109058 | Certificate of Analysis | Apr 02, 2025 | C153427 |
| D1923142 | Certificate of Analysis | Feb 03, 2023 | C153427 |
| F2307067 | Certificate of Analysis | Sep 09, 2022 | C153427 |
| J2217315 | Certificate of Analysis | Sep 09, 2022 | C153427 |
| J2217316 | Certificate of Analysis | Sep 09, 2022 | C153427 |
| J2217317 | Certificate of Analysis | Sep 09, 2022 | C153427 |
| J2217318 | Certificate of Analysis | Sep 09, 2022 | C153427 |
| Boil Point(°C) | 218 °C/120 mmHg |
|---|---|
| Melt Point(°C) | 204 °C |
| Molecular Weight | 140.090 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.011 Da |
| Monoisotopic Mass | 140.011 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
| 1. Wenyuan Zhang, Songjuan Zhuang, Hui Guan, Feng Li, Hui Zou, Dapeng Li. (2023) New insights into the anti-apoptotic mechanism of natural polyphenols in complex with Bax protein. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, [PMID:37184126] [10.1080/07391102.2023.2212066] |
| 2. Wengang Zhang, Yong Han, Xiumei Chen, Xueli Luo, Jianlong Wang, Tianli Yue, Zhonghong Li. (2017) Surface molecularly imprinted polymer capped Mn-doped ZnS quantum dots as a phosphorescent nanosensor for detecting patulin in apple juice. FOOD CHEMISTRY, [PMID:28490057] [10.1016/j.foodchem.2017.03.156] |
