| CAS Number | 1036738-97-2 |
| Catalog Number | AG01AQK9(AGN-PC-0WCOEH) |
| Chemical Name | 1-(cyclopropanesulfonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-cyclopropylsulfonylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C9H15NO4S/c11-9(12)7-3-5-10(6-4-7)15(13,14)8-1-2-8/h7-8H,1-6H2,(H,11,12) |
| InChI Key | LJLAAORUZZVLBJ-UHFFFAOYSA-N |
| MDL Number | MFCD16653434 |
| Molecular Formula | C9H15NO4S |
| Molecular Weight | 233.2847 |
| SMILES | OC(C1CCN(S(C2CC2)(=O)=O)CC1)=O |
| Synonyms | 1-(cyclopropylsulfonyl)piperidine-4-carboxylic acid,
1036738-97-2,
SCHEMBL3918633,
ZINC38478416,
AKOS013878550,
MCULE-1810808793,
L-2896,
F2190-0721,
1-cyclopropylsulfonylpiperidine-4-carboxylic acid,
1-(cyclopropanesulfonyl)piperidine-4-carboxylic acid,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.072179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.29g/mol |
| Monoisotopic Mass | 233.072179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number