≥99% 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.
3-(2-Carboxyphenyl)propionic acid (2-(2-carboxyethyl)benzoic acid) is an aromatic acid that undergoes cyclization to generate 1-indanone on heating. It is formed during the reaction of β-tetralone with KO2 in toluene
| Pubchem Sid | 504757953 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757953 |
| Canonical Smiles | C1=CC=C(C(=C1)CCC(=O)O)C(=O)O |
| IUPAC Name | 2-(2-carboxyethyl)benzoic acid |
| InChIKey | VEEXBQLWMFMATJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| Isomeric SMILES | C1=CC=C(C(=C1)CCC(=O)O)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 194.18 |
| Reaxy-Rn | 2050926 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050926&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 | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| 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 |
|---|---|---|---|
 K2307135 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307148 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307420 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307423 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307424 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307425 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| K2307430 | Certificate of Analysis | Nov 14, 2023 | C139262 |
| Melt Point(°C) | 166-168 °C |
|---|---|
| Molecular Weight | 194.180 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
