| CAS Number | 1334148-77-4 |
| Catalog Number | AG01AJPE |
| Chemical Name | 1-methyl-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H13NO3S/c1-12-9(13)5-4-7(11(14)15)10(12)8-3-2-6-16-8/h2-3,6-7,10H,4-5H2,1H3,(H,14,15) |
| InChI Key | QKMBIOAOPNQEAH-UHFFFAOYSA-N |
| MDL Number | MFCD07378149 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | CN1C(=O)CCC(C(O)=O)C1C1SC=CC=1 |
| Synonyms | 1-methyl-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid,
1334148-77-4,
AKOS013382997,
MCULE-4781588562,
NE51223,
EN300-81636,
Z1270358424,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number