| CAS Number | 1251003-85-6 |
| Catalog Number | AG00HHZZ(AGN-PC-0WG4O2) |
| Chemical Name | (3Ar*,8ar*)-tert-butyl 8-oxo-3,3a,8,8a-tetrahydroindeno[1,2-c]pyrrole-2(1h)-carboxylate |
| IUPAC Name | tert-butyl (3aR,8bR)-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate |
| InChI | InChI=1S/C16H19NO3/c1-16(2,3)20-15(19)17-8-12-10-6-4-5-7-11(10)14(18)13(12)9-17/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m0/s1 |
| InChI Key | JKZDTRIMZKHSOR-STQMWFEESA-N |
| MDL Number | MFCD14581169 |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.3270 |
| SMILES | O=C(N1C[C@H]2[C@@H](C1)c1c(C2=O)cccc1)OC(C)(C)C |
| Synonyms | Cis-Tert-Butyl8-Oxo-3,3A,8,8A-Tetrahydroindeno[2,1-C]Pyrrole-2(1H)-Carboxylate,
1251003-85-6,
ZINC91303518,
AM805260,
tert-butyl8-oxo-3,3a,8,8a-tetrahydroindeno[2,1-c]pyrrole-2(1H)-carboxylate,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.332g/mol |
| Monoisotopic Mass | 273.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number