| CAS Number | 125947-31-1 |
| Catalog Number | AG01EJXM(AGN-PC-0022DA) |
| Chemical Name | 1-Cyclohexyl-3-phenylpropan-2-one |
| IUPAC Name | 1-cyclohexyl-3-phenylpropan-2-one |
| InChI | InChI=1S/C15H20O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2 |
| InChI Key | PRWFCVZDBVYHJH-UHFFFAOYSA-N |
| MDL Number | MFCD12782400 |
| Molecular Formula | C15H20O |
| Molecular Weight | 216.3187 |
| SMILES | O=C(CC1=CC=CC=C1)CC1CCCCC1 |
| Synonyms | SCHEMBL2439007,
AKOS010312397,
1-CYCLOHEXYL-3-PHENYLPROPAN-2-ONE,
125947-31-1,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.324g/mol |
| Monoisotopic Mass | 216.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number