| CAS Number | 2138371-99-8 |
| Catalog Number | AG01EKO2 |
| Chemical Name | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C26H23NO4/c28-24(29)26(18-8-2-1-3-9-18)14-15-27(17-26)25(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2,(H,28,29) |
| InChI Key | FVFFPLGHXAYVTG-UHFFFAOYSA-N |
| MDL Number | MFCD31558851 |
| Molecular Formula | C26H23NO4 |
| Molecular Weight | 413.4651 |
| SMILES | OC(C1(C2=CC=CC=C2)CN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1)=O |
| Synonyms | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine-3-carboxylic acid,
2138371-99-8,
|
| Complexity | 652 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.473g/mol |
| Monoisotopic Mass | 413.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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