≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)OC(=O)CCCCCCCCCCCCCCC |
|---|---|
| IUPAC Name | 2,3-di(hexadecanoyloxy)propyl pyridine-3-carboxylate |
| InChIKey | HOTHIZPJZICUAJ-UHFFFAOYSA-N |
| INCHI | 1S/C41H71NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39(43)46-35-38(36-47-41(45)37-30-29-33-42-34-37)48-40(44)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,38H,3-28,31-32,35-36H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C1=CN=CC=C1)OC(=O)CCCCCCCCCCCCCCC |
| Alternate CAS | 153874-14-7 |
| PubChem CID | 178041 |
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 | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Tricarboxylic acids and derivatives Glycerolipids Fatty acid esters Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Tricarboxylic acid or derivatives - Fatty acid ester - Glycerolipid - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 674.000 g/mol |
|---|---|
| XLogP3 | 15.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 37 |
| Exact Mass | 673.528 Da |
| Monoisotopic Mass | 673.528 Da |
| Topological Polar Surface Area | 91.800 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 759.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
