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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC2=C(C(CO2)O)C(=O)O1 |
|---|---|
| IUPAC Name | 3-hydroxy-6-methyl-2,3-dihydrofuro[3,2-c]pyran-4-one |
| InChIKey | KLEPYAZHRXGNBY-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O4/c1-4-2-6-7(8(10)12-4)5(9)3-11-6/h2,5,9H,3H2,1H3 |
| Isomeric SMILES | CC1=CC2=C(C(CO2)O)C(=O)O1 |
| Molecular Weight | 168.15 |
| Reaxy-Rn | 1569434 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1569434&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Vinylogous esters Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranone - Alkyl aryl ether - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Lactone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic 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 |
| Molecular Weight | 168.150 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.042 Da |
| Monoisotopic Mass | 168.042 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-Hydroxy-6-methyl-2,3-dihydro-4H-furo[3,2-c]pyran-4-one - CAS No(57053-18-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H171032.png)