≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 488189337 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189337 |
| Canonical Smiles | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O |
| IUPAC Name | methyl 3-hydroxy-4-nitrobenzoate |
| InChIKey | UEGCRFNWTGYVKX-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO5/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,10H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O |
| Molecular Weight | 197.15 |
| Beilstein | 2583832 |
| Reaxy-Rn | 2583832 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2583832&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-Hydroxybenzoic acid esters Nitrophenols Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Methyl esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - M-hydroxybenzoic acid ester - Benzoate ester - Nitrophenol - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1425044 | Certificate of Analysis | Mar 20, 2026 | M122443 |
| E1426061 | Certificate of Analysis | Feb 05, 2026 | M122443 |
| L2121064 | Certificate of Analysis | Oct 11, 2025 | M122443 |
| K2021062 | Certificate of Analysis | Sep 12, 2024 | M122443 |
| K2021061 | Certificate of Analysis | Sep 12, 2024 | M122443 |
| B2310748 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| B2310819 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| B2310824 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| B2310908 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| B2310929 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| B2310932 | Certificate of Analysis | Dec 07, 2022 | M122443 |
| Sensitivity | Air Sensitive |
|---|---|
| Melt Point(°C) | 89-92°C |
| Molecular Weight | 197.140 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 197.032 Da |
| Monoisotopic Mass | 197.032 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
