≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 488194074 |
|---|---|
| Canonical Smiles | COC1=CC=CC2=C1OCC2=O |
| IUPAC Name | 7-methoxy-1-benzofuran-3-one |
| InChIKey | QSJBSTJSAZCHSA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O3/c1-11-8-4-2-3-6-7(10)5-12-9(6)8/h2-4H,5H2,1H3 |
| Isomeric SMILES | COC1=CC=CC2=C1OCC2=O |
| WGK Germany | 3 |
| Molecular Weight | 164.16 |
| Reaxy-Rn | 132124 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132124&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 | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Coumarans Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| 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 |
|---|---|---|---|
 E2316706 | Certificate of Analysis | Mar 08, 2023 | M119783 |
| E2316712 | Certificate of Analysis | Mar 08, 2023 | M119783 |
| E2316726 | Certificate of Analysis | Mar 08, 2023 | M119783 |
| E2316793 | Certificate of Analysis | Mar 08, 2023 | M119783 |
| A2630151 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081247 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081248 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081255 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081256 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081262 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081266 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081268 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| D23081705 | Certificate of Analysis | Feb 24, 2023 | M119783 |
| Melt Point(°C) | 82-86°C |
|---|---|
| Molecular Weight | 164.160 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.047 Da |
| Monoisotopic Mass | 164.047 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |
