| CAS Number | 1340322-21-5 |
| Catalog Number | AG00HT4Z(AGN-PC-0WR9ZB) |
| Chemical Name | 1-(9H-Fluoren-9-ylmethyl) 4-methyl piperidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-(9H-fluoren-9-ylmethyl) 4-O-methyl piperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C22H23NO4/c1-26-21(24)15-10-12-23(13-11-15)22(25)27-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-14H2,1H3 |
| InChI Key | KMNNYWDVPDTUQH-UHFFFAOYSA-N |
| MDL Number | MFCD18328518 |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.4223 |
| SMILES | COC(=O)C1CCN(CC1)C(=O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | 1-(9H-FLUOREN-9-YLMETHYL) 4-METHYL PIPERIDINE-1,4-DICARBOXYLATE,
1340322-21-5,
ZINC70915983,
AKOS012614785,
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| Complexity | 520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.429g/mol |
| Monoisotopic Mass | 365.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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