| CAS Number | 82413-28-3 |
| Catalog Number | AG0052D5(AGN-PC-00NRV6) |
| Chemical Name | 2-(4-Hydroxyphenyl)-1-phenyl-1-butanone |
| IUPAC Name | 2-(4-hydroxyphenyl)-1-phenylbutan-1-one |
| InChI | InChI=1S/C16H16O2/c1-2-15(12-8-10-14(17)11-9-12)16(18)13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3 |
| InChI Key | FXJSXWBPLHSRGP-UHFFFAOYSA-N |
| MDL Number | MFCD01564709 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.2970 |
| SMILES | CCC(C(=O)c1ccccc1)c2ccc(O)cc2 |
| Synonyms | 82413-28-3,
2-(4-HYDROXYPHENYL)-1-PHENYL-1-BUTANONE,
2-(4-Hydroxyphenyl)-1-phenylbutan-1-one,
Oprea1_435160,
SCHEMBL9774496,
CTK5E9648,
DTXSID50548008,
AKOS030255355,
FT-0669972,
2-(4-Hydroxyphenyl)-1-phenyl-,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.302g/mol |
| Monoisotopic Mass | 240.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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