Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
arbinate is a chemical intermediate of arbidol hydrochloride.
| Pubchem Sid | 488190758 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190758 |
| Canonical Smiles | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C |
| IUPAC Name | ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate |
| InChIKey | YTBNTDMBGXAOCG-UHFFFAOYSA-N |
| INCHI | 1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C |
| RTECS | NL6003600 |
| Molecular Weight | 233.26 |
| Reaxy-Rn | 193275 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=193275&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 | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | N-alkylindoles Hydroxyindoles Indoles Pyrrole carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids N-methylpyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Hydroxyindole - N-alkylindole - Indole - Pyrrole-3-carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - N-methylpyrrole - Substituted pyrrole - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
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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 | Mar 20, 2026 | M129363 | |
| Certificate of Analysis | Jul 14, 2025 | M129363 | |
| Certificate of Analysis | Jul 14, 2025 | M129363 | |
| Certificate of Analysis | Jul 14, 2025 | M129363 | |
| Certificate of Analysis | Jul 14, 2025 | M129363 | |
| Certificate of Analysis | Jul 14, 2025 | M129363 | |
| Certificate of Analysis | Apr 18, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 | |
| Certificate of Analysis | Mar 04, 2025 | M129363 |
| Solubility | DMSO 47 mg/mL (201 mM) ; Water <1 mg/mL (<1 mM) ; Ethanol <1 mg/mL (<1 mM) |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 212 °C |
| Molecular Weight | 233.260 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 233.105 Da |
| Monoisotopic Mass | 233.105 Da |
| Topological Polar Surface Area | 51.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |