≥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.
| Sonrisas canónicas | C1C(NC1=O)C(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | benzyl 4-oxoazetidine-2-carboxylate |
| InChIKey | WGLLBHSIXLWVFU-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13) |
| Isómeros SMILES | C1C(NC1=O)C(=O)OCC2=CC=CC=C2 |
| Peso molecular | 205.21 |
| Reaxy-Rn | 395906 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=395906&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 | Organoheterocyclic compounds |
| Clase | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Monobactams |
| Alternative Parents | Alpha amino acid esters Benzyloxycarbonyls Azetidinecarboxylic acids Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monobactam - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azetidine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring. |
| External Descriptors | Not available |
| Peso molecular | 205.210 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 205.074 Da |
| Monoisotopic Mass | 205.074 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
B2625362