≥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.
| Sonrisas canónicas | CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 3-ethoxycarbonyl-5-nitrobenzoic acid |
| InChIKey | HOYHBDFTELAGGG-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13) |
| Isómeros SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
| Peso molecular | 239.18 |
| Reaxy-Rn | 1886334 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1886334&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | m-Phthalate esters |
| Alternative Parents | M-phthalic acid and derivatives Nitrobenzoic acids and derivatives Benzoic acid esters Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Dicarboxylic acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Meta-phthalic acid ester - Meta_phthalic_acid - Nitrobenzoate - Benzoate ester - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Peso molecular | 239.180 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| 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 | 323.000 |
| 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 |
L2315155