| CAS Number | 116526-34-2 |
| Catalog Number | AG000CON(AGN-PC-000DD2) |
| Chemical Name | Cyclopentanone, 3-(4-methoxyphenyl)- |
| IUPAC Name | 3-(4-methoxyphenyl)cyclopentan-1-one |
| InChI | InChI=1S/C12H14O2/c1-14-12-6-3-9(4-7-12)10-2-5-11(13)8-10/h3-4,6-7,10H,2,5,8H2,1H3 |
| InChI Key | BXVGGHJBRCDSGU-UHFFFAOYSA-N |
| MDL Number | MFCD06659800 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COc1ccc(cc1)C1CCC(=O)C1 |
| Synonyms | 3-(4-methoxyphenyl)cyclopentanone,
116526-34-2,
3-(4-METHOXYPHENYL)CYCLOPENTAN-1-ONE,
Cyclopentanone,3-(4-methoxyphenyl)-,
Cyclopentanone, 3-(4-methoxyphenyl)-,
ACMC-1BPG1,
SCHEMBL2044509,
CTK4A9833,
DTXSID60555743,
BXVGGHJBRCDSGU-UHFFFAOYSA-N,
3-(4-methoxyphenyl) cyclopentanone,
MFCD06659800,
3-(4-methoxyphenyl)-1-cyclopentanone,
AKOS006294363,
AB26340,
3-(4-methoxyphenyl)-cyclopentan-1-one,
AS-36323,
DA-15126,
FT-0739342,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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