≥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 | 488186438 |
|---|---|
| Canonical Smiles | C1=CC=C(C(=C1)CC(=O)O)C#N |
| IUPAC Name | 2-(2-cyanophenyl)acetic acid |
| InChIKey | QLHZKPQKYARBGT-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| Isomeric SMILES | C1=CC=C(C(=C1)CC(=O)O)C#N |
| Molecular Weight | 161.16 |
| Reaxy-Rn | 2091809 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091809&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| 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 |
|---|---|---|---|
 K2217425 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217426 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217427 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217429 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217430 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217431 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217460 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| K2217477 | Certificate of Analysis | Sep 04, 2026 | C191762 |
| L2129003 | Certificate of Analysis | Oct 11, 2025 | C191762 |
| J1925075 | Certificate of Analysis | Aug 04, 2023 | C191762 |
| E2508250 | Certificate of Analysis | Oct 09, 2022 | C191762 |
| Melt Point(°C) | 120-123℃ |
|---|---|
| Molecular Weight | 161.160 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| 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 | 216.000 |
| 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 |
