| CAS Number | 75810-44-5 |
| Catalog Number | AG01AIMY |
| Chemical Name | 2-(4-Methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxylic Acid |
| IUPAC Name | 2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid |
| InChI | InChI=1S/C14H17NO4/c1-15-12(16)8-7-11(14(17)18)13(15)9-3-5-10(19-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3,(H,17,18) |
| InChI Key | ICBHERHXGACVGQ-UHFFFAOYSA-N |
| MDL Number | MFCD07377684 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | COC1=CC=C(C2N(C)C(=O)CCC2C(O)=O)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid,
75810-44-5,
SCHEMBL11477376,
AKOS013382805,
MCULE-4780503115,
NE18186,
EN300-78415,
Z1276446902,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.293g/mol |
| Monoisotopic Mass | 263.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number