Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| Sonrisas canónicas | C1CC2=CC3=C(C=C2C(=O)C1)OCC4=C3C=CC(=C4)Cl |
|---|---|
| IUPAC Name | 3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one |
| InChIKey | BBBRYVDJZUVJPB-UHFFFAOYSA-N |
| INCHI | 1S/C17H13ClO2/c18-12-4-5-13-11(6-12)9-20-17-8-14-10(7-15(13)17)2-1-3-16(14)19/h4-8H,1-3,9H2 |
| Isómeros SMILES | C1CC2=CC3=C(C=C2C(=O)C1)OCC4=C3C=CC(=C4)Cl |
| PubChem CID | 69673366 |
| Peso molecular | 284.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Naphthopyrans |
| Subclass | Naphthopyranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthopyranones |
| Alternative Parents | Dibenzopyrans Tetralins Naphthalenes 2-benzopyrans Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthopyranone - Dibenzopyran - Benzopyran - 2-benzopyran - 1-benzopyran - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Ketone - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system. |
| External Descriptors | Not available |
| Peso molecular | 284.700 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 284.06 Da |
| Monoisotopic Mass | 284.06 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |