| CAS Number | 1101227-14-8 |
| Catalog Number | AG01A3R0 |
| Chemical Name | 1-(2-Methylbenzoyl)piperidine-2-carboxylic acid |
| IUPAC Name | 1-(2-methylbenzoyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C14H17NO3/c1-10-6-2-3-7-11(10)13(16)15-9-5-4-8-12(15)14(17)18/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,17,18) |
| InChI Key | CQNZFMNCMRSHAK-UHFFFAOYSA-N |
| MDL Number | MFCD08442141 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CC1=C(C(N2C(C(O)=O)CCCC2)=O)C=CC=C1 |
| Synonyms | 1-(2-METHYLBENZOYL)PIPERIDINE-2-CARBOXYLIC ACID,
1101227-14-8,
CTK7I9171,
AKOS000124874,
AKOS017272454,
MCULE-5385363163,
NE52106,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number