≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | C1C2=CC=CC=C2C(=O)OC1=O |
|---|---|
| IUPAC Name | 4H-isochromene-1,3-dione |
| InChIKey | AKHSBAVQPIRVAG-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2 |
| Isomeric SMILES | C1C2=CC=CC=C2C(=O)OC1=O |
| WGK Germany | 3 |
| Molecular Weight | 162.14 |
| Beilstein | 5244 |
| Reaxy-Rn | 5244 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5244&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 | Benzopyrans |
| Subclass | 2-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-benzopyrans |
| Alternative Parents | Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-benzopyran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. |
| 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 |
|---|---|---|---|
 G2222491 | Certificate of Analysis | Mar 11, 2026 | H134415 |
| G2222493 | Certificate of Analysis | Mar 11, 2026 | H134415 |
| B2209028 | Certificate of Analysis | Aug 19, 2025 | H134415 |
| B2209030 | Certificate of Analysis | Aug 19, 2025 | H134415 |
| L2418049 | Certificate of Analysis | Dec 25, 2024 | H134415 |
| L2418125 | Certificate of Analysis | Dec 25, 2024 | H134415 |
| K2113467 | Certificate of Analysis | Aug 18, 2023 | H134415 |
| K2113464 | Certificate of Analysis | Aug 18, 2023 | H134415 |
| K2113465 | Certificate of Analysis | Aug 18, 2023 | H134415 |
| F2129231 | Certificate of Analysis | Apr 13, 2023 | H134415 |
| F2129232 | Certificate of Analysis | Apr 13, 2023 | H134415 |
| B2209029 | Certificate of Analysis | Jan 04, 2022 | H134415 |
| L2418050 | Certificate of Analysis | Jan 04, 2022 | H134415 |
| Solubility | Decomposes in water. |
|---|---|
| Sensitivity | Moisture sensitive. |
| Boil Point(°C) | 161 °C/1.5 mmHg |
| Melt Point(°C) | 142 °C |
| Molecular Weight | 162.140 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 162.032 Da |
| Monoisotopic Mass | 162.032 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
