≥98% 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.
| Pubchem Sid | 488189383 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189383 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=NO2)CC(=O)O |
| IUPAC Name | 2-(1,2-benzoxazol-3-yl)acetic acid |
| InChIKey | BVSIAYQIMUUCRW-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=NO2)CC(=O)O |
| Molecular Weight | 177.16 |
| Reaxy-Rn | 516277 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=516277&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 |
| Class | Benzisoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzisoxazoles |
| Alternative Parents | Benzenoids Isoxazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzisoxazole - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2230288 | Certificate of Analysis | Jun 09, 2026 | B136627 |
| K2230499 | Certificate of Analysis | Jun 09, 2026 | B136627 |
| K2230501 | Certificate of Analysis | Jun 09, 2026 | B136627 |
| K2230502 | Certificate of Analysis | Jun 09, 2026 | B136627 |
| I1627048 | Certificate of Analysis | Nov 06, 2025 | B136627 |
| K2230287 | Certificate of Analysis | Jan 14, 2025 | B136627 |
| K2230500 | Certificate of Analysis | Jan 14, 2025 | B136627 |
| J2129333 | Certificate of Analysis | Aug 01, 2023 | B136627 |
| J2129336 | Certificate of Analysis | Aug 01, 2023 | B136627 |
| Solubility | Soluble in methanol |
|---|---|
| Melt Point(°C) | 129 °C |
| Molecular Weight | 177.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 177.043 Da |
| Monoisotopic Mass | 177.043 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
