≥95% 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 | C1C(C(=O)OC1=O)NC(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | benzyl N-[(3S)-2,5-dioxooxolan-3-yl]carbamate |
| InChIKey | OZPYEGOBGWQOSZ-VIFPVBQESA-N |
| INCHI | 1S/C12H11NO5/c14-10-6-9(11(15)18-10)13-12(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1 |
| Isomeric SMILES | C1[C@@H](C(=O)OC1=O)NC(=O)OCC2=CC=CC=C2 |
| WGK Germany | 3 |
| Molecular Weight | 249.22 |
| Reaxy-Rn | 88425 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=88425&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Alpha amino acids and derivatives Dicarboxylic acids and derivatives Oxolanes Carboxylic acid anhydrides Carbamate esters Lactones Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzyloxycarbonyl - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxolane - Carbamic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Specific Rotation[α] | [α]20/D -25°, c = 1 in methanol |
|---|---|
| Melt Point(°C) | 123-124°C |
| Molecular Weight | 249.220 g/mol |
| XLogP3 | 0.900 |
| 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 | 81.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 348.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
