| CAS Number | 1445951-42-7 |
| Catalog Number | AG019F24(AGN-PC-0WG4ND) |
| Chemical Name | Cis-Ethyl 7-Oxooctahydro-2H-Pyrano[3,2-C]Pyridine-4A-Carboxylate |
| IUPAC Name | ethyl (4aR,8aR)-7-oxo-3,4,5,6,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylate |
| InChI | InChI=1S/C11H17NO4/c1-2-15-10(14)11-4-3-5-16-8(11)6-9(13)12-7-11/h8H,2-7H2,1H3,(H,12,13)/t8-,11-/m1/s1 |
| InChI Key | CNLZKKAZWWSKFS-LDYMZIIASA-N |
| MDL Number | MFCD31656849 |
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.2570 |
| SMILES | CCOC(=O)[C@@]12CCCO[C@@H]1CC(=O)NC2 |
| Synonyms | Cis-Ethyl 7-Oxooctahydro-2H-Pyrano[3,2-C]Pyridine-4A-Carboxylate,
1445951-42-7,
ZINC95698581,
CS-0035727,
(4aR,8aR)-Ethyl 7-oxooctahydro-2H-pyrano[3,2-c]pyridine-4a-carboxylate,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number