≥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.
| Pubchem Sid | 488196598 |
|---|---|
| Sorrisos canónicos | CC1=C(C=CC(=C1)C(=O)O)C#N |
| IUPAC Name | 4-cyano-3-methylbenzoic acid |
| InChIKey | LTRYUAZFLOGRLJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO2/c1-6-4-7(9(11)12)2-3-8(6)5-10/h2-4H,1H3,(H,11,12) |
| SMILES isoméricas | CC1=C(C=CC(=C1)C(=O)O)C#N |
| Peso molecular | 161.16 |
| Reaxy-Rn | 3241281 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3241281&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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Benzonitriles Toluenes Nitriles Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Benzonitrile - Benzoyl - Toluene - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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 | Data | Item |
|---|---|---|---|
 F2313015 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| J2219271 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| J2219465 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| J2219508 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| J2219510 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| J2219536 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| K2422015 | Certificate of Analysis | Aug 04, 2022 | C194823 |
| Peso molecular | 161.160 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.048 Da |
| Monoisotopic Mass | 161.048 Da |
| Topological Polar Surface Area | 61.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
