Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC)(T) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508812823 |
|---|---|
| Sorrisi canonici | C1=C(NC=N1)C=CC(=O)O |
| IUPAC Name | (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
| InChIKey | LOIYMIARKYCTBW-OWOJBTEDSA-N |
| INCHI | 1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ |
| Isomeri SMILES | C1=C(NC=N1)/C=C/C(=O)O |
| Peso molecolare | 138.13 |
| Reaxy-Rn | 606934 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606934&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 | Organoheterocyclic compounds |
| Classe | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Imidazolyl carboxylic acids and derivatives |
| Alternative Parents | Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Imidazolyl carboxylic acid derivative - Heteroaromatic compound - Azacycle - 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 heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. |
| External Descriptors | urocanic acid |
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| Sensibilità | heat sensitive |
|---|---|
| Punto di fusione (°C) | 225 °C |
| Peso molecolare | 138.120 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.043 Da |
| Monoisotopic Mass | 138.043 Da |
| Topological Polar Surface Area | 66.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jian-Jun Zhong, Liping Xia, Liuru Xue, Boyu Liu, Lingling Zhao, Hua Ye, Zhanming Li. (2022) Analytical method for histamine, urocanic acid isomers, and their precursor histidine in fish sauce based on precolumn dansylation and high-performance liquid chromatography. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2022.109566] |