≥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 | 488190533 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190533 |
| Canonical Smiles | C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-] |
| IUPAC Name | 3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid |
| InChIKey | RIGFMUNSTCPGNP-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13) |
| Isomeric SMILES | C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-] |
| Molecular Weight | 239.18 |
| Reaxy-Rn | 3969079 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3969079&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 Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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 |
|---|---|---|---|
 D2220095 | Certificate of Analysis | Feb 04, 2026 | M102464 |
| D2220099 | Certificate of Analysis | Feb 04, 2026 | M102464 |
| J1317071 | Certificate of Analysis | May 13, 2025 | M102464 |
| F2122149 | Certificate of Analysis | Apr 03, 2025 | M102464 |
| F2122150 | Certificate of Analysis | Apr 03, 2025 | M102464 |
| A2419456 | Certificate of Analysis | Nov 23, 2023 | M102464 |
| A2419457 | Certificate of Analysis | Nov 23, 2023 | M102464 |
| A2419458 | Certificate of Analysis | Nov 23, 2023 | M102464 |
| A2419459 | Certificate of Analysis | Nov 23, 2023 | M102464 |
| C1618067 | Certificate of Analysis | Oct 09, 2023 | M102464 |
| D2318541 | Certificate of Analysis | Jun 26, 2021 | M102464 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 109°C |
| Molecular Weight | 239.180 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 239.043 Da |
| Monoisotopic Mass | 239.043 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |
