Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)OC1CCCC2C1CCN2C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl (3aS,4R,7aS)-4-acetyloxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate |
| InChIKey | XAQGVQBGKDMCCK-RWMBFGLXSA-N |
| INCHI | 1S/C15H25NO4/c1-10(17)19-13-7-5-6-12-11(13)8-9-16(12)14(18)20-15(2,3)4/h11-13H,5-9H2,1-4H3/t11-,12-,13+/m0/s1 |
| Isomeric SMILES | CC(=O)O[C@@H]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C |
| PubChem CID | 67123114 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 283.360 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 283.178 Da |
| Monoisotopic Mass | 283.178 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 388.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |