≥98% 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.
| Pubchem Sid | 488193184 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193184 |
| Canonical Smiles | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| IUPAC Name | (4-nitrophenyl)methyl 3-oxobutanoate |
| InChIKey | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3 |
| Isomeric SMILES | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| Molecular Weight | 237.21 |
| Reaxy-Rn | 5551585 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5551585&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 | Nitrobenzenes Nitroaromatic compounds Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Beta-keto acid - Fatty acid ester - Keto acid - 1,3-dicarbonyl compound - Fatty acyl - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1313106 | Certificate of Analysis | Aug 15, 2025 | N119945 |
| A2412453 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| A2412454 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| A2412455 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| A2412456 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| A2412457 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| A2412458 | Certificate of Analysis | Nov 24, 2023 | N119945 |
| C1610397 | Certificate of Analysis | Nov 01, 2023 | N119945 |
| D2321375 | Certificate of Analysis | May 08, 2023 | N119945 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 44°C |
| Molecular Weight | 237.210 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 237.064 Da |
| Monoisotopic Mass | 237.064 Da |
| Topological Polar Surface Area | 89.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |
