| CAS Number | 2137447-97-1 |
| Catalog Number | AG01EKJK |
| Chemical Name | 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholine-3-carboxylic acid |
| IUPAC Name | 4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinane-3-carboxylic acid |
| InChI | InChI=1S/C20H19NO6S/c22-19(23)18-12-28(25,26)10-9-21(18)20(24)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23) |
| InChI Key | XTWXTTZLOJBEDT-UHFFFAOYSA-N |
| MDL Number | MFCD31664994 |
| Molecular Formula | C20H19NO6S |
| Molecular Weight | 401.433 |
| SMILES | OC(C1N(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CCS(=O)(=O)C1)=O |
| Synonyms | 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholine-3-carboxylic acid,
2137447-97-1,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.433g/mol |
| Monoisotopic Mass | 401.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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