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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)C3=C(N2CCC#N)C=CC(=C3)C=O |
|---|---|
| IUPAC Name | 3-(3-formylcarbazol-9-yl)propanenitrile |
| InChIKey | VRCXHTXRTABURQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N2O/c17-8-3-9-18-15-5-2-1-4-13(15)14-10-12(11-19)6-7-16(14)18/h1-2,4-7,10-11H,3,9H2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C3=C(N2CCC#N)C=CC(=C3)C=O |
| PubChem CID | 4737376 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carbazoles |
| Alternative Parents | N-alkylindoles Indoles Aryl-aldehydes Substituted pyrroles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Carbazole - N-alkylindole - Indole - Aryl-aldehyde - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 248.280 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.095 Da |
| Monoisotopic Mass | 248.095 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |