Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥97%(HPLC) Moligand™ 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 | 504750861 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750861 |
| Sonrisas canónicas | C1CC(=O)OC2=C1C3=CC=CC=C3C=C2 |
| IUPAC Name | 1,2-dihydrobenzo[f]chromen-3-one |
| InChIKey | ISFPDBUKMJDAJH-UHFFFAOYSA-N |
| INCHI | 1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2 |
| Isómeros SMILES | C1CC(=O)OC2=C1C3=CC=CC=C3C=C2 |
| PubChem CID | 5269 |
| Peso molecular | 198.22 |
| Reaxy-Rn | 161649 |
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 |
| Clase | Naphthopyrans |
| Subclass | Naphthopyranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthopyranones |
| Alternative Parents | 3,4-dihydrocoumarins Naphthalenes 1-benzopyrans Pyrans Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthopyranone - 3,4-dihydrocoumarin - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Pyran - Benzenoid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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 | delta-lactone - benzochromenone |
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| Sensibilidad | Air Sensitive,Heat Sensitive |
|---|---|
| Punto de fusión (°C) | 55 °C |
| Peso molecular | 198.220 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 198.068 Da |
| Monoisotopic Mass | 198.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |
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