≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC1=CN(C=N1)C2=C(C=C(C=C2)C=C(CCCCl)C(=O)O)OC |
|---|---|
| IUPAC Name | (2E)-5-chloro-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid |
| InChIKey | RPZYGMHUNNMHGS-RIYZIHGNSA-N |
| INCHI | 1S/C17H19ClN2O3/c1-12-10-20(11-19-12)15-6-5-13(9-16(15)23-2)8-14(17(21)22)4-3-7-18/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,22)/b14-8+ |
| Isomeric SMILES | CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C(\CCCCl)/C(=O)O)OC |
| PubChem CID | 58528693 |
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 | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumaric acids and derivatives |
| Alternative Parents | Cinnamic acids Phenylimidazoles Methoxyanilines Phenoxy compounds Anisoles Imidazolyl carboxylic acids and derivatives Methoxybenzenes Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Cinnamic acid - Coumaric acid or derivatives - 1-phenylimidazole - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 334.800 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 334.108 Da |
| Monoisotopic Mass | 334.108 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 430.000 |
| 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 |
