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GRADE & PURITY ≥98%
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| Sonrisas canónicas | CCCCOC1=CC=C(O1)C=O |
|---|---|
| IUPAC Name | 5-butoxyfuran-2-carbaldehyde |
| InChIKey | MKOPEOKHXIVNMO-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O3/c1-2-3-6-11-9-5-4-8(7-10)12-9/h4-5,7H,2-3,6H2,1H3 |
| Peso molecular | 168.19 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Aryl-aldehydes Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Alkyl aryl ether - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 168.190 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.079 Da |
| Monoisotopic Mass | 168.079 Da |
| Topological Polar Surface Area | 39.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |