≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)O)O)C |
|---|---|
| IUPAC Name | 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetic acid |
| InChIKey | NCOVPSDBMQUDQQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H14O6/c1-13(2)5-9(15)12-8(14)3-7(4-10(12)19-13)18-6-11(16)17/h3-4,14H,5-6H2,1-2H3,(H,16,17) |
| Isómeros SMILES | CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)O)O)C |
| PubChem CID | 8022450 |
| Peso molecular | 266.25 |
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 | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
| Alternative Parents | Phenoxyacetic acid derivatives Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2,2-dimethyl-1-benzopyran - Chromone - Phenoxyacetate - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Vinylogous acid - Ketone - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. |
| External Descriptors | Not available |
| Peso molecular | 266.250 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 266.079 Da |
| Monoisotopic Mass | 266.079 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 |
![[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetic acid - ≥97% , CAS No.135111-51-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)