| CAS Number | 1704026-58-3 |
| Catalog Number | AG01BK3O |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylhexanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylhexanoic acid |
| InChI | InChI=1S/C22H25NO4/c1-3-14(2)12-20(21(24)25)23-22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,3,12-13H2,1-2H3,(H,23,26)(H,24,25) |
| InChI Key | BTMPALGRAOMNRT-UHFFFAOYSA-N |
| MDL Number | MFCD31665031 |
| Molecular Formula | C22H25NO4 |
| Molecular Weight | 367.4382 |
| SMILES | CCC(CC(C(O)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| Synonyms | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylhexanoic acid,
1704026-58-3,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.445g/mol |
| Monoisotopic Mass | 367.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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