≥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 | 488198228 |
|---|---|
| Canonical Smiles | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC |
| IUPAC Name | methyl 5-methoxy-2-nitrobenzoate |
| InChIKey | UAPJKEJWOPOJJY-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3 |
| Isomeric SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC |
| Molecular Weight | 211.2 |
| Reaxy-Rn | 2584585 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2584585&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyaniline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| 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 |
|---|---|---|---|
 C2325453 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325458 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325465 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325466 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325467 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325474 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325476 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325482 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325486 | Certificate of Analysis | Jan 19, 2026 | M183033 |
| C2325455 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| C2325456 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| C2325457 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| C2325459 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| C2325463 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| C2325464 | Certificate of Analysis | Jan 11, 2023 | M183033 |
| Molecular Weight | 211.170 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.048 Da |
| Monoisotopic Mass | 211.048 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
