≥96% 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 | COC(=O)C(CO)N1C(=O)C2=CC=CC=C2C1=O |
|---|---|
| IUPAC Name | methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate |
| InChIKey | VLMFMOJAUYRNBB-UHFFFAOYSA-N |
| INCHI | 1S/C12H11NO5/c1-18-12(17)9(6-14)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5,9,14H,6H2,1H3 |
| Isomeric SMILES | COC(=O)C(CO)N1C(=O)C2=CC=CC=C2C1=O |
| PubChem CID | 612989 |
| Molecular Weight | 249.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Serine and derivatives Phthalimides Isoindoles Beta hydroxy acids and derivatives N-substituted carboxylic acid imides Benzenoids Methyl esters Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Serine or derivatives - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Beta-hydroxy acid - Carboxylic acid imide, n-substituted - Hydroxy acid - Benzenoid - Carboxylic acid imide - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 249.220 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.064 Da |
| Monoisotopic Mass | 249.064 Da |
| Topological Polar Surface Area | 83.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
