| CAS Number | 1554658-68-2 |
| Catalog Number | AG01DHTP |
| Chemical Name | 5-ACetyl-2-(4-isopropylphenoxy)pyridine |
| IUPAC Name | 1-[6-(4-propan-2-ylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C16H17NO2/c1-11(2)13-4-7-15(8-5-13)19-16-9-6-14(10-17-16)12(3)18/h4-11H,1-3H3 |
| InChI Key | FMTVZJWUHDNQDI-UHFFFAOYSA-N |
| MDL Number | MFCD25247518 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | C(C)(=O)C=1C=CC(=NC1)OC1=CC=C(C=C1)C(C)C |
| Synonyms | 5-Acetyl-2-(4-isopropylphenoxy)pyridine,
1554658-68-2,
AKOS020878758,
CS-0059935,
1-(6-(4-Isopropylphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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