≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504759965 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759965 |
| Sonrisas canónicas | C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2 |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) benzoate |
| InChIKey | BVUOEDOMUOJKOY-UHFFFAOYSA-N |
| INCHI | 1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| Isómeros SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2 |
| Peso molecular | 219.19 |
| Reaxy-Rn | 1533676 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1533676&ln= |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Benzoyl derivatives Pyrrolidine-2-ones Dicarboximides Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzoyl - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carboxylic acid salt - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Sensibilidad | Heat Sensitive |
|---|---|
| Punto de fusión (°C) | 137 °C |
| Peso molecular | 219.190 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 219.053 Da |
| Monoisotopic Mass | 219.053 Da |
| Topological Polar Surface Area | 63.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 304.000 |
| 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 |
D1728089