| CAS Number | 1032056-92-0 |
| Catalog Number | AG019KOA |
| Chemical Name | 1-(Thiophene-2-carbonyl)piperidine-2-carboxylic acid |
| IUPAC Name | 1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO3S/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15) |
| InChI Key | YMRCTWCRPNSLPD-UHFFFAOYSA-N |
| MDL Number | MFCD08444841 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | OC(C1N(C(C2SC=CC=2)=O)CCCC1)=O |
| Synonyms | 1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid,
1-(thien-2-ylcarbonyl)piperidine-2-carboxylic acid,
1032056-92-0,
AC1Q74GK,
CTK7I9180,
AKOS000129390,
AKOS017272369,
MCULE-1796194578,
NE18474,
EN300-27725,
Z85895982,
|
| Complexity | 295 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number