| CAS Number | 938458-78-7 |
| Catalog Number | AG005ZW2(AGN-PC-0WB373) |
| Chemical Name | 1-(2,3-Dimethylphenyl)piperidin-4-one |
| IUPAC Name | 1-(2,3-dimethylphenyl)piperidin-4-one |
| InChI | InChI=1S/C13H17NO/c1-10-4-3-5-13(11(10)2)14-8-6-12(15)7-9-14/h3-5H,6-9H2,1-2H3 |
| InChI Key | LWJVIJIPTFNWDS-UHFFFAOYSA-N |
| MDL Number | MFCD09055174 |
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.2802 |
| SMILES | N1(CCC(CC1)=O)C1=CC=CC(C)=C1C |
| Synonyms | 1-(2,3-dimethylphenyl)piperidin-4-one,
938458-78-7,
1-(2,3-dimethylphenyl)-4-piperidinone,
CTK5H3488,
DTXSID80640963,
MFCD09055174,
ZINC19087733,
AKOS000197304,
MCULE-1503900147,
AJ-70832,
Y-5019,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.285g/mol |
| Monoisotopic Mass | 203.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number