| CAS Number | 1936396-62-1 |
| Catalog Number | AG01BKAT |
| Chemical Name | 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.1.1]hexane-1-carboxylic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid |
| InChI | InChI=1S/C21H19NO4/c23-19(24)21-9-13(10-21)11-22(21)20(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18H,9-12H2,(H,23,24) |
| InChI Key | JMVXIHLJJFHMKW-UHFFFAOYSA-N |
| MDL Number | MFCD28389226 |
| Molecular Formula | C21H19NO4 |
| Molecular Weight | 349.3799 |
| SMILES | O=C(O)C12N(C(=O)OCC3C=4C=CC=CC4C=5C=CC=CC53)CC(C1)C2 |
| Synonyms | 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.1.1]hexane-1-carboxylic acid,
1936396-62-1,
AKOS026739736,
2-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid,
|
| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.386g/mol |
| Monoisotopic Mass | 349.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number