≥98% 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.
| Pubchem Sid | 488189408 |
|---|---|
| Sonrisas canónicas | C1OC2=CC=CC(=C2O1)C(=O)O |
| IUPAC Name | 1,3-benzodioxole-4-carboxylic acid |
| InChIKey | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
| INCHI | 1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| Isómeros SMILES | C1OC2=CC=CC(=C2O1)C(=O)O |
| Peso molecular | 166.13 |
| Reaxy-Rn | 155902 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155902&ln= |
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 | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Benzenoid - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2329517 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329518 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329519 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329520 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329521 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329522 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329523 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| E2329524 | Certificate of Analysis | Mar 11, 2026 | B479202 |
| H2525070 | Certificate of Analysis | Apr 23, 2023 | B479202 |
| Peso molecular | 166.130 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 166.027 Da |
| Monoisotopic Mass | 166.027 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |
