≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 488196728 |
|---|---|
| Canonical Smiles | COC(=O)C1=C(C=CC(=C1)C#N)O |
| IUPAC Name | methyl 5-cyano-2-hydroxybenzoate |
| InChIKey | WNLGGSGBOQGUHV-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C=CC(=C1)C#N)O |
| Molecular Weight | 177.16 |
| Reaxy-Rn | 5510661 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5510661&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters |
| Direct Parent | o-Hydroxybenzoic acid esters |
| Alternative Parents | Salicylic acid and derivatives Benzoyl derivatives Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzonitrile - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. |
| 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 |
|---|---|---|---|
 C23161110 | Certificate of Analysis | Jan 07, 2026 | M335024 |
| C23161093 | Certificate of Analysis | Jan 07, 2026 | M335024 |
| C23161109 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C23161132 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C23161133 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C23161150 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C23161161 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C23161162 | Certificate of Analysis | Dec 10, 2025 | M335024 |
| C2528083 | Certificate of Analysis | Dec 09, 2022 | M335024 |
| Molecular Weight | 177.160 g/mol |
|---|---|
| XLogP3 | 2.100 |
| 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 | 70.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
