≥97% 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.
| Canonical Smiles | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | 2-(4-ethoxycarbonylpiperidin-1-yl)-5-nitrobenzoic acid |
| InChIKey | FQZBRAJJMZZXSV-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O6/c1-2-23-15(20)10-5-7-16(8-6-10)13-4-3-11(17(21)22)9-12(13)14(18)19/h3-4,9-10H,2,5-8H2,1H3,(H,18,19) |
| Isomeric SMILES | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| PubChem CID | 2764312 |
| Molecular Weight | 322.317 |
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 | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Nitrobenzoic acids and derivatives Aminobenzoic acids Piperidinecarboxylic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines Dicarboxylic acids and derivatives Vinylogous amides Amino acids Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organic zwitterions Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzoate - Phenylpiperidine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Piperidinecarboxylic acid - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous amide - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Amino acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic oxoazanium - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 322.310 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.116 Da |
| Monoisotopic Mass | 322.116 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 455.000 |
| 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 |
![2-[4-(Ethoxycarbonyl)piperidino]-5-nitrobenzenecarboxylic acid - ≥97% , CAS No.78243-32-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)