≥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.
| Canonical Smiles | CC1=C(C(=CC=C1)C#N)O |
|---|---|
| IUPAC Name | 2-hydroxy-3-methylbenzonitrile |
| InChIKey | LTJBGZJJPIHUIB-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO/c1-6-3-2-4-7(5-9)8(6)10/h2-4,10H,1H3 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C#N)O |
| Molecular Weight | 133.15 |
| Reaxy-Rn | 1936115 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936115&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 | Phenols |
| Subclass | Cresols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho cresols |
| Alternative Parents | Benzonitriles Toluenes 1-hydroxy-4-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-cresol - Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 133.150 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.053 Da |
| Monoisotopic Mass | 133.053 Da |
| Topological Polar Surface Area | 44.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
