| CAS Number | 435275-28-8 |
| Catalog Number | AG00I8BS(AGN-PC-0WNGKE) |
| Chemical Name | (R)-Benzyl 3-Formylpiperidine-1-Carboxylate |
| IUPAC Name | benzyl (3R)-3-formylpiperidine-1-carboxylate |
| InChI | InChI=1S/C14H17NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/t13-/m1/s1 |
| InChI Key | QKGTVOXHDCVOAW-CYBMUJFWSA-N |
| MDL Number | MFCD17214734 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | C(=O)[C@H]1CN(CCC1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | (R)-BENZYL 3-FORMYLPIPERIDINE-1-CARBOXYLATE,
435275-28-8,
benzyl (3R)-3-formylpiperidine-1-carboxylate,
SCHEMBL2199478,
KS-00000TGO,
DTXSID60654528,
ZINC6667031,
MFCD17214734,
AKOS027254540,
AJ-56577,
CJ-13066,
DS-10390,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number