| Sonrisas canónicas | C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC#N)OCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-[3,4-bis(phenylmethoxy)phenyl]acetonitrile |
| InChIKey | JVNGVPICFBYTGS-UHFFFAOYSA-N |
| INCHI | 1S/C22H19NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13,16-17H2 |
| Isómeros SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC#N)OCC3=CC=CC=C3 |
| PubChem CID | 2758031 |
| Peso molecular | 329.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 80° |
|---|---|
| Peso molecular | 329.400 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 329.142 Da |
| Monoisotopic Mass | 329.142 Da |
| Topological Polar Surface Area | 42.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |
