| CAS Number | 2138133-75-0 |
| Catalog Number | AG01EL2J |
| Chemical Name | 2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]benzoic acid |
| IUPAC Name | 2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]benzoic acid |
| InChI | InChI=1S/C28H27NO4/c30-27(31)21-8-2-1-7-20(21)17-19-13-15-29(16-14-19)28(32)33-18-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-12,19,26H,13-18H2,(H,30,31) |
| InChI Key | NTDMAYQMGJESEB-UHFFFAOYSA-N |
| MDL Number | MFCD31558856 |
| Molecular Formula | C28H27NO4 |
| Molecular Weight | 441.5183 |
| SMILES | OC(C1=C(CC2CCN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CC2)C=CC=C1)=O |
| Synonyms | 2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]benzoic acid,
2138133-75-0,
|
| Complexity | 665 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.527g/mol |
| Monoisotopic Mass | 441.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number