| CAS Number | 503469-95-2 |
| Catalog Number | AG01AJMU(AGN-PC-0S7XWE) |
| Chemical Name | 5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C20H16N2O5/c23-19(24)18-9-12(27-22-18)10-21-20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-9,17H,10-11H2,(H,21,25)(H,23,24) |
| InChI Key | SAGUQGULXZQQMU-UHFFFAOYSA-N |
| MDL Number | MFCD29480757 |
| Molecular Formula | C20H16N2O5 |
| Molecular Weight | 364.3514 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCC1=CC(=NO1)C(=O)O |
| Synonyms | 503469-95-2,
5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,2-oxazole-3-carboxylic acid,
ZINC306208890,
5-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)-1,2-oxazole-3-carboxylic acid,
|
| Complexity | 535 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.357g/mol |
| Monoisotopic Mass | 364.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number