| Canonical Smiles | CCCCC(=O)C1=CC=CO1 |
|---|---|
| IUPAC Name | 1-(furan-2-yl)pentan-1-one |
| InChIKey | HTOZHTBIOGGHDJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 |
| Isomeric SMILES | CCCCC(=O)C1=CC=CO1 |
| PubChem CID | 231325 |
| Molecular Weight | 152.19 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2529193 | Certificate of Analysis | Apr 19, 2025 | V696577 |
| D2529194 | Certificate of Analysis | Apr 19, 2025 | V696577 |
| D2529195 | Certificate of Analysis | Apr 19, 2025 | V696577 |
| D2529196 | Certificate of Analysis | Apr 19, 2025 | V696577 |
| D2529197 | Certificate of Analysis | Apr 19, 2025 | V696577 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 152.190 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 152.084 Da |
| Monoisotopic Mass | 152.084 Da |
| Topological Polar Surface Area | 30.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
