Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | 504759351 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759351 |
| Canonical Smiles | COC(=O)C1=C(C=CS1)O |
| IUPAC Name | methyl 3-hydroxythiophene-2-carboxylate |
| InChIKey | SEMVRXMFCHXUMD-UHFFFAOYSA-N |
| INCHI | 1S/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C=CS1)O |
| Molecular Weight | 158.17 |
| Reaxy-Rn | 121431 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121431&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 | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxylic acids and derivatives |
| Alternative Parents | Vinylogous acids Methyl esters Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof). |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 | |
| Certificate of Analysis | Jan 26, 2024 | M157943 |
| Solubility | Soluble in Methanol;Slightly soluble in water. |
|---|---|
| Flash Point(°F) | 110 °C |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 108°C/13mmHg(lit.) |
| Melt Point(°C) | 38-48°C |
| Molecular Weight | 158.180 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.004 Da |
| Monoisotopic Mass | 158.004 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| 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 |