| CAS Number | 1699606-82-0 |
| Catalog Number | AG01EKG3 |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4,4-dimethylpentanoic acid |
| IUPAC Name | 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4,4-dimethylpentanoic acid |
| InChI | InChI=1S/C23H27NO4/c1-23(2,3)13-20(21(25)26)24(4)22(27)28-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,26) |
| InChI Key | DHNYJKKISLDATB-UHFFFAOYSA-N |
| MDL Number | MFCD31559679 |
| Molecular Formula | C23H27NO4 |
| Molecular Weight | 381.4648 |
| SMILES | CN(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C(C(O)=O)CC(C)(C)C |
| Synonyms | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4,4-dimethylpentanoic acid,
1699606-82-0,
|
| Complexity | 547 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.194008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.5g/mol |
| Monoisotopic Mass | 381.194008g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
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