| CAS Number | 1697377-42-6 |
| Catalog Number | AG01EKEW |
| Chemical Name | 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C23H25NO4/c1-24(23(21(25)26)13-7-2-8-14-23)22(27)28-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,25,26) |
| InChI Key | KWBSWUDNXUVCEG-UHFFFAOYSA-N |
| MDL Number | MFCD31559683 |
| Molecular Formula | C23H25NO4 |
| Molecular Weight | 379.4489 |
| SMILES | CN(C1(C(O)=O)CCCCC1)C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O |
| Synonyms | 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)cyclohexane-1-carboxylic acid,
SCHEMBL2035736,
AKOS033937660,
ZINC117842805,
Z2527705930,
1697377-42-6,
|
| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.456g/mol |
| Monoisotopic Mass | 379.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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