≥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.
| Sonrisas canónicas | C1C(=O)OC2=C(C13CC(=O)OC4=C3C=CC(=C4)O)C=CC(=C2)O |
|---|---|
| IUPAC Name | 7,7'-dihydroxy-4,4'-spirobi[3H-chromene]-2,2'-dione |
| InChIKey | RMQHSNYXQLJJFO-UHFFFAOYSA-N |
| INCHI | 1S/C17H12O6/c18-9-1-3-11-13(5-9)22-15(20)7-17(11)8-16(21)23-14-6-10(19)2-4-12(14)17/h1-6,18-19H,7-8H2 |
| Isómeros SMILES | C1C(=O)OC2=C(C13CC(=O)OC4=C3C=CC(=C4)O)C=CC(=C2)O |
| PubChem CID | 701424 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | 3,4-dihydrocoumarins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3,4-dihydrocoumarins |
| Alternative Parents | 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position. |
| External Descriptors | Not available |
| Peso molecular | 312.270 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 312.063 Da |
| Monoisotopic Mass | 312.063 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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 |
![7,7'-dihydroxy-4,4'-spirobi[chromene]-2,2'(3H,3'H)-dione - ≥95% , CAS No.780821-74-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)