| CAS Number | 1101193-09-2 |
| Catalog Number | AG01A3NA |
| Chemical Name | 1-(3,5-dimethylbenzoyl)piperidine-2-carboxylic acid |
| IUPAC Name | 1-(3,5-dimethylbenzoyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C15H19NO3/c1-10-7-11(2)9-12(8-10)14(17)16-6-4-3-5-13(16)15(18)19/h7-9,13H,3-6H2,1-2H3,(H,18,19) |
| InChI Key | SBKOERBWQZBUHY-UHFFFAOYSA-N |
| MDL Number | MFCD09049183 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | CC1=CC(C(N2C(C(O)=O)CCCC2)=O)=CC(C)=C1 |
| Synonyms | 1-(3,5-DIMETHYLBENZOYL)PIPERIDINE-2-CARBOXYLIC ACID,
1101193-09-2,
CTK7I9114,
AKOS000132937,
AKOS017272392,
MCULE-1256821773,
NE46379,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number