| CAS Number | 1422462-67-6 |
| Catalog Number | AG00HWFL(AGN-PC-0WR0QK) |
| Chemical Name | (Z)-Tert-butyl 3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C14H21NO5/c1-5-19-12(17)8-10-9-15(7-6-11(10)16)13(18)20-14(2,3)4/h8H,5-7,9H2,1-4H3/b10-8- |
| InChI Key | OBTPHGMAUQDRTM-NTMALXAHSA-N |
| MDL Number | MFCD22565639 |
| Molecular Formula | C14H21NO5 |
| Molecular Weight | 283.3202 |
| SMILES | CCOC(=O)C=C/1CN(CCC1=O)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate,
(Z)-Tert-butyl 3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate,
1395498-37-9,
1422462-67-6,
DTXSID70856758,
ZINC95705120,
AJ-133634,
AX8259204,
Z-8547,
tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 283.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.324g/mol |
| Monoisotopic Mass | 283.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number