≥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.
| Canonical Smiles | CC(C(=O)C)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 |
|---|---|
| IUPAC Name | 3-(3-oxobutan-2-yloxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one |
| InChIKey | PMICNKBWQJSMMB-UHFFFAOYSA-N |
| INCHI | 1S/C17H18O4/c1-10(18)11(2)20-12-7-8-14-13-5-3-4-6-15(13)17(19)21-16(14)9-12/h7-9,11H,3-6H2,1-2H3 |
| Molecular Weight | 286.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ketone - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
| Molecular Weight | 286.320 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 286.121 Da |
| Monoisotopic Mass | 286.121 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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-(1-Methyl-2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[C]chromen-6-one - ≥95% , CAS No.307549-77-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)