| CAS Number | 1936714-49-6 |
| Catalog Number | AG01BK4P |
| Chemical Name | 5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]furan-3-carboxylic acid |
| IUPAC Name | 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]furan-3-carboxylic acid |
| InChI | InChI=1S/C21H17NO5/c23-20(24)13-9-14(26-11-13)10-22-21(25)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-9,11,19H,10,12H2,(H,22,25)(H,23,24) |
| InChI Key | FJRPHUQMQXSZES-UHFFFAOYSA-N |
| MDL Number | MFCD31559746 |
| Molecular Formula | C21H17NO5 |
| Molecular Weight | 363.3634 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCC1=CC(=CO1)C(=O)O |
| Synonyms | 5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]furan-3-carboxylic acid,
1936714-49-6,
AKOS033594792,
ZINC307607426,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.369g/mol |
| Monoisotopic Mass | 363.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number