≥98% 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.
| Sonrisas canónicas | COC(=O)C(=O)C1=CN2CCCC3=C2C1=CC=C3 |
|---|---|
| IUPAC Name | methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate |
| InChIKey | ALUMSXHHLXAQTD-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NO3/c1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15/h2,4,6,8H,3,5,7H2,1H3 |
| Isómeros SMILES | COC(=O)C(=O)C1=CN2CCCC3=C2C1=CC=C3 |
| PubChem CID | 59298805 |
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 |
| Clase | Indoles and derivatives |
| Subclass | Indolyl carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indole-3-acetic acid derivatives |
| Alternative Parents | Indoles Aryl ketones Substituted pyrroles Benzenoids Alpha-keto acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole-3-acetic acid derivative - Indole - Aryl ketone - Alpha-keto acid - Keto acid - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. |
| External Descriptors | Not available |
| Peso molecular | 243.260 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.09 Da |
| Monoisotopic Mass | 243.09 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |
![methyl 2-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-2-oxoacetate - ≥98% , CAS No.345264-02-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)