| CAS Number | 6921-50-2 |
| Catalog Number | AG01C0J8 |
| Chemical Name | 1-(4-cyclobutylphenyl)ethan-1-one |
| IUPAC Name | 1-(4-cyclobutylphenyl)ethanone |
| InChI | InChI=1S/C12H14O/c1-9(13)10-5-7-12(8-6-10)11-3-2-4-11/h5-8,11H,2-4H2,1H3 |
| InChI Key | KIDXPQGKCCFELF-UHFFFAOYSA-N |
| MDL Number | MFCD24692243 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | CC(C1=CC=C(C2CCC2)C=C1)=O |
| Synonyms | 1-(4-cyclobutylphenyl)ethan-1-one,
6921-50-2,
p-cyclobutylacetophenone,
AKOS024056576,
ZINC159949600,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number