| CAS Number | 1696848-61-9 |
| Catalog Number | AG01C5M5 |
| Chemical Name | tert-butyl 3-hydroxy-3-(naphthalen-1-yl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-hydroxy-3-naphthalen-1-ylazetidine-1-carboxylate |
| InChI | InChI=1S/C18H21NO3/c1-17(2,3)22-16(20)19-11-18(21,12-19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,21H,11-12H2,1-3H3 |
| InChI Key | HOEIUCAOOWNAQU-UHFFFAOYSA-N |
| MDL Number | MFCD29907089 |
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.3642 |
| SMILES | CC(OC(N1CC(C2=C3C(C=CC=C3)=CC=C2)(O)C1)=O)(C)C |
| Synonyms | tert-butyl 3-hydroxy-3-(naphthalen-1-yl)azetidine-1-carboxylate,
1696848-61-9,
ZINC229661727,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.37g/mol |
| Monoisotopic Mass | 299.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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