| CAS Number | 769141-68-6 |
| Catalog Number | AG00ICS4(AGN-PC-0FUT4H) |
| Chemical Name | 3-(3-Methylphenyl)cyclopentan-1-one |
| IUPAC Name | 3-(3-methylphenyl)cyclopentan-1-one |
| InChI | InChI=1S/C12H14O/c1-9-3-2-4-10(7-9)11-5-6-12(13)8-11/h2-4,7,11H,5-6,8H2,1H3 |
| InChI Key | PHSRAAHWTNDHIY-UHFFFAOYSA-N |
| MDL Number | MFCD11934672 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | O=C1CCC(C1)c1cccc(c1)C |
| Synonyms | 3-(m-Tolyl)cyclopentanone,
769141-68-6,
3-(3-methylphenyl)cyclopentan-1-one,
AKOS013846596,
|
| Complexity | 197 |
| 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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