≥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.
| Sonrisas canónicas | CC(C(=O)O)N1C(=O)C2CC=CCC2C1=O |
|---|---|
| IUPAC Name | 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid |
| InChIKey | FXZGDMUZNFVTBV-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-3,6-8H,4-5H2,1H3,(H,15,16) |
| Isómeros SMILES | CC(C(=O)O)N1C(=O)C2CC=CCC2C1=O |
| PubChem CID | 2770873 |
| Peso molecular | 223.22 |
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 | Indolyl carboxylic acids and derivatives |
| Alternative Parents | Alanine and derivatives Isoindolones Indoles Isoindoles Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Lactams Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Indolyl carboxylic acid derivative - Alanine or derivatives - Alpha-amino acid or derivatives - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - N-alkylpyrrolidine - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. |
| External Descriptors | Not available |
| Peso molecular | 223.220 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.084 Da |
| Monoisotopic Mass | 223.084 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
