| CAS Number | 1936276-26-4 |
| Catalog Number | AG01BKCT |
| Chemical Name | 5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-azaspiro[2.4]heptane-1-carboxylic acid |
| IUPAC Name | 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.4]heptane-2-carboxylic acid |
| InChI | InChI=1S/C22H21NO4/c24-20(25)19-11-22(19)9-10-23(13-22)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25) |
| InChI Key | VAHCWDPQONURLI-UHFFFAOYSA-N |
| MDL Number | MFCD31559774 |
| Molecular Formula | C22H21NO4 |
| Molecular Weight | 363.4064 |
| SMILES | OC(C1C2(CN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CC2)C1)=O |
| Synonyms | 5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-azaspiro[2.4]heptane-1-carboxylic acid,
1936276-26-4,
AKOS033866295,
|
| Complexity | 599 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.413g/mol |
| Monoisotopic Mass | 363.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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