≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Description
Natural product derived from fungal source.}
| Pubchem Sid | 504769729 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769729 |
| 정식 스마일 | C=C(C(=O)O)OC1=CC=CC(=C1)C(=O)O |
| IUPAC Name | 3-(1-carboxyethenoxy)benzoic acid |
| InChIKey | HGVAHYJMDVROLE-UHFFFAOYSA-N |
| INCHI | 1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14) |
| 이성체 SMILES | C=C(C(=O)O)OC1=CC=CC(=C1)C(=O)O |
| 분자량 | 208.17 |
| Reaxy-Rn | 2373061 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2373061&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 | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Benzoic acids Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxyacetate - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | aromatic ether - dicarboxylic acid - benzoic acids - enol ether |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 J2331217 | Certificate of Analysis | Aug 04, 2026 | D463944 |
| J2331218 | Certificate of Analysis | Aug 04, 2026 | D463944 |
| J2331412 | Certificate of Analysis | Aug 04, 2026 | D463944 |
| J2331422 | Certificate of Analysis | Aug 04, 2026 | D463944 |
| K2520211 | Certificate of Analysis | Oct 07, 2023 | D463944 |
| 용해성 | DMSO: 1mg/mL |
|---|---|
| 발화점(°F) | Not applicable |
| 발화점(°C) | Not applicable |
| 분자량 | 208.170 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.037 Da |
| Monoisotopic Mass | 208.037 Da |
| Topological Polar Surface Area | 83.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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 |
