| CAS Number | 951976-64-0 |
| Catalog Number | AG01AHPJ |
| Chemical Name | 1-Methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid |
| IUPAC Name | 1-methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H15NO3/c1-14-11(15)8-7-10(13(16)17)12(14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,16,17) |
| InChI Key | AHVBATBBFVYBGJ-UHFFFAOYSA-N |
| MDL Number | MFCD07377674 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | CN1C(=O)CCC(C(O)=O)C1C1=CC=CC=C1 |
| Synonyms | 1-methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid,
951976-64-0,
1-methyl-6-oxo-2-phenyl-3-piperidinecarboxylic acid,
STK719728,
AKOS005535503,
MCULE-9727191992,
NE13664,
NS-03081,
EN300-75414,
Z1278581702,
1-methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid, Mixture of diastereomers,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number