| CAS Number | 1341054-38-3 |
| Catalog Number | AG01DT7N(AGN-PC-0EZN7B) |
| Chemical Name | 4-Methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid |
| IUPAC Name | 4-methyl-1-prop-2-ynoylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-3-8(12)11-6-4-10(2,5-7-11)9(13)14/h1H,4-7H2,2H3,(H,13,14) |
| InChI Key | ZVKURWMFGTXVRH-UHFFFAOYSA-N |
| MDL Number | MFCD18271891 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC1(C(O)=O)CCN(C(C#C)=O)CC1 |
| Synonyms | 4-methyl-1-(prop-2-ynoyl)piperidine-4-carboxylic acid,
1341054-38-3,
AKOS012424345,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number