| CAS Number | 2137628-62-5 |
| Catalog Number | AG01EKS4 |
| Chemical Name | 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid |
| IUPAC Name | 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid |
| InChI | InChI=1S/C25H27NO4/c27-23(28)25(13-16-9-11-17(25)12-10-16)15-26-24(29)30-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,26,29)(H,27,28) |
| InChI Key | DSSNFLQYNXHHCF-UHFFFAOYSA-N |
| MDL Number | MFCD31665003 |
| Molecular Formula | C25H27NO4 |
| Molecular Weight | 405.4862 |
| SMILES | OC(C1(C2CCC(CC2)C1)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid,
2137628-62-5,
|
| Complexity | 636 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.494g/mol |
| Monoisotopic Mass | 405.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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