| CAS Number | 926241-94-3 |
| Catalog Number | AG00J9B2(AGN-PC-0WCW7W) |
| Chemical Name | 1-(4-Methylbenzoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(4-methylbenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C14H17NO3/c1-10-4-6-11(7-5-10)13(16)15-8-2-3-12(9-15)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18) |
| InChI Key | BRVBACYZMACJFP-UHFFFAOYSA-N |
| MDL Number | MFCD08442835 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CC1=CC=C(C(N2CC(C(O)=O)CCC2)=O)C=C1 |
| Synonyms | 1-(4-methylbenzoyl)piperidine-3-carboxylic acid,
926241-94-3,
AC1Q2JSX,
CTK7I9329,
ALBB-029749,
MFCD08442835,
AKOS000125483,
AKOS016885063,
MCULE-3440147805,
NE20612,
EN300-36258,
3-piperidinecarboxylic acid, 1-(4-methylbenzoyl)-,
|
| Complexity | 321 |
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number