≥98% 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 | 488191446 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C(=O)O)NC(=O)CCC(=O)O |
| IUPAC Name | 4-(3-carboxypropanoylamino)benzoic acid |
| InChIKey | IOKXKKSBNJCKOY-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17) |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)CCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 237.21 |
| Reaxy-Rn | 3355574 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3355574&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 | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Benzoic acids Anilides N-arylamides Benzoyl derivatives Fatty amides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| 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 |
|---|---|---|---|
 C2325820 | Certificate of Analysis | Jan 26, 2026 | N340716 |
| C2325678 | Certificate of Analysis | Jan 26, 2026 | N340716 |
| C2325770 | Certificate of Analysis | Jan 19, 2026 | N340716 |
| C2325777 | Certificate of Analysis | Jan 19, 2026 | N340716 |
| C2325778 | Certificate of Analysis | Jan 19, 2026 | N340716 |
| C2325822 | Certificate of Analysis | Jan 19, 2026 | N340716 |
| Melt Point(°C) | ca 290° dec. |
|---|---|
| Molecular Weight | 237.210 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 237.064 Da |
| Monoisotopic Mass | 237.064 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 307.000 |
| 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 |
