| CAS Number | 1936071-00-9 |
| Catalog Number | AG01BKBQ |
| Chemical Name | 4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,4-oxazepane-6-carboxylic acid |
| IUPAC Name | 4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-6-carboxylic acid |
| InChI | InChI=1S/C21H21NO5/c23-20(24)14-11-22(9-10-26-12-14)21(25)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24) |
| InChI Key | LTFXJQSQUFXUSI-UHFFFAOYSA-N |
| MDL Number | MFCD31559777 |
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.3951 |
| SMILES | O=C(C1CN(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CCOC1)O |
| Synonyms | 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,4-oxazepane-6-carboxylic acid,
1936071-00-9,
AKOS033866260,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.401g/mol |
| Monoisotopic Mass | 367.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number