≥95% 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.
| Canonical Smiles | COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Cl)OC |
|---|---|
| IUPAC Name | 2-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid |
| InChIKey | IXUNVUXUGUEWBQ-KPKJPENVSA-N |
| INCHI | 1S/C19H15ClN2O5/c1-26-16-9-11(8-14(20)17(16)27-2)7-12(10-21)18(23)22-15-6-4-3-5-13(15)19(24)25/h3-9H,1-2H3,(H,22,23)(H,24,25)/b12-7+ |
| Molecular Weight | 386.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acid amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-cinnamoylanthranilic acids |
| Alternative Parents | Acylaminobenzoic acid and derivatives Dimethoxybenzenes Anilides Benzoic acids Phenoxy compounds Anisoles N-arylamides Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-cinnamoylanthranilic acid - Acylaminobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid - Benzoic acid or derivatives - Anilide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Nitrile - Ether - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-cinnamoylanthranilic acids. These are aromatic compounds containing a cinnamic acid conjugated to an anthranilic acid. |
| External Descriptors | Not available |
| Molecular Weight | 386.800 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 386.067 Da |
| Monoisotopic Mass | 386.067 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| 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 |
![2-[3-(3-Chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoic acid - ≥95% , CAS No.364739-75-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)