| CAS Number | 1951439-58-9 |
| Catalog Number | AG00I36B(AGN-PC-0WQZ7Z) |
| Chemical Name | 1-(1-Benzofuran-5-yl)hexan-1-one |
| IUPAC Name | 1-(1-benzofuran-5-yl)hexan-1-one |
| InChI | InChI=1S/C14H16O2/c1-2-3-4-5-13(15)11-6-7-14-12(10-11)8-9-16-14/h6-10H,2-5H2,1H3 |
| InChI Key | SVEIYWAUXGBWLP-UHFFFAOYSA-N |
| MDL Number | MFCD30182382 |
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.2756 |
| SMILES | CCCCCC(=O)c1ccc2c(c1)cco2 |
| Synonyms | 1-(1-Benzofuran-5-yl)hexan-1-one,
1951439-58-9,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.28g/mol |
| Monoisotopic Mass | 216.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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