| CAS Number | 1932202-52-2 |
| Catalog Number | AG00IKRI(AGN-PC-0WNH1M) |
| Chemical Name | tert-butyl (3aS,5S,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate |
| IUPAC Name | tert-butyl (3aS,5S,7aR)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-11,15H,4-8H2,1-3H3/t9-,10+,11-/m0/s1 |
| InChI Key | ISZLPPFTZXTGHT-AXFHLTTASA-N |
| MDL Number | MFCD30478086 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | O=C(N1C[C@]2([H])CC[C@H](O)C[C@]2([H])C1)OC(C)(C)C |
| Synonyms | tert-butyl (3aS,5S,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate,
1932202-52-2,
tert-Butyl (3aS,5S,7aR)-5-hydroxyoctahydro-2H-isoindole-2-carboxylate,
MFCD30478086,
ZINC59979425,
AKOS030628688,
CS-W000103,
AS-53306,
(3aS,5S,7aR)-rel-2-Boc-5-hydroxy-octahydro-1H-isoindole,
t-Butyl (3aS,5S,7aR)-rel-5-hydroxy-octahydro-1H-isoindole-2-carboxylate,
na,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number