| CAS Number | 1147557-68-3 |
| Catalog Number | AG0095YA(AGN-PC-0WQVPW) |
| Chemical Name | Tert-Butyl 9-Hydroxy-3-Oxa-7-Azabicyclo[3.3.1]Nonane-7-Carboxylate |
| IUPAC Name | tert-butyl 9-hydroxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate |
| InChI | InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(5-13)10(8)14/h8-10,14H,4-7H2,1-3H3 |
| InChI Key | GFLBASJQJLQUMN-UHFFFAOYSA-N |
| MDL Number | MFCD23726563 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(OC(N1CC2C(O)C(COC2)C1)=O)(C)C |
| Synonyms | tert-butyl 9-hydroxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate,
228270-33-5,
1147557-68-3,
tert-Butyl 9-hydroxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate(9-syn),
SCHEMBL757784,
SCHEMBL13820350,
GFLBASJQJLQUMN-UHFFFAOYSA-N,
AKOS023789200,
FCH1660785,
ACM228270335,
AK160967,
AM805606,
AX8293979,
FT-0736317,
N-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol,
tert-Butyl 9-hydroxy-3-oxa-7- azabicyclo[3.3.1]nonane-7-carboxylate,
9-Hydroxy-3-oxa-7-aza-bicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester,
(9-Anti)-9-hydroxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylic acid 1,1-dimethylethyl ester,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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