| CAS Number | 2089381-64-4 |
| Catalog Number | AG01EB3C |
| Chemical Name | benzyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| IUPAC Name | benzyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C14H17NO3/c16-13-7-11-6-12(13)15(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2 |
| InChI Key | RSMKUMJCVWVRAZ-UHFFFAOYSA-N |
| MDL Number | MFCD30480541 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | C1C2CC(C1N(C2)C(=O)OCC3=CC=CC=C3)O |
| Synonyms | benzyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
SCHEMBL20817350,
ACN-045289,
(6R)-TERT-BUTYL 6-HYDROXY-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE,
2089381-64-4,
1099570-25-8,
N/A,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.120843g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.29g/mol |
| Monoisotopic Mass | 247.120843g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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