| CAS Number | 86921-82-6 |
| Catalog Number | AG004LA1(AGN-PC-00KY4B) |
| Chemical Name | 3-(4-Methylphenyl)cyclopentanone |
| IUPAC Name | 3-(4-methylphenyl)cyclopentan-1-one |
| InChI | InChI=1S/C12H14O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11/h2-5,11H,6-8H2,1H3 |
| InChI Key | FVEIGRRGQJZYTD-UHFFFAOYSA-N |
| MDL Number | MFCD06659803 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | O=C1CCC(C1)c1ccc(cc1)C |
| Synonyms | 3-(4-methylphenyl)cyclopentanone,
86921-82-6,
3-(p-Tolyl)cyclopentanone,
3-(4-METHYLPHENYL)CYCLOPENTAN-1-ONE,
SCHEMBL735604,
3-(p-tolyl)-cyclopentan-1-one,
CTK5F7388,
DTXSID90518720,
AKOS006294611,
AB26347,
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| Complexity | 189 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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