| CAS Number | 1956354-75-8 |
| Catalog Number | AG01DKI5 |
| Chemical Name | 1-[(4-methoxyphenyl)methyl]azepan-2-one |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]azepan-2-one |
| InChI | InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)11-15-10-4-2-3-5-14(15)16/h6-9H,2-5,10-11H2,1H3 |
| InChI Key | FYRGKUMTUNQXLF-UHFFFAOYSA-N |
| MDL Number | MFCD21362337 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | COc1ccc(cc1)CN1CCCCCC1=O |
| Synonyms | 1-(4-Methoxybenzyl)azepan-2-one,
1956354-75-8,
1-(4-METHOXY-BENZYL)-AZEPAN-2-ONE,
SCHEMBL20303832,
MFCD21362337,
ZINC247873568,
1-[(4-methoxyphenyl)methyl]azepan-2-one,
CS-0039802,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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