| CAS Number | 2044773-70-6 |
| Catalog Number | AG01B63W |
| Chemical Name | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-hydroxyazetidine-3-carboxylic acid |
| IUPAC Name | 1-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyazetidine-3-carboxylic acid |
| InChI | InChI=1S/C19H17NO5/c21-17(22)19(24)10-20(11-19)18(23)25-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16,24H,9-11H2,(H,21,22) |
| InChI Key | QLCBWAPLQFXHRG-UHFFFAOYSA-N |
| MDL Number | MFCD30486589 |
| Molecular Formula | C19H17NO5 |
| Molecular Weight | 339.342 |
| SMILES | OC(C1(CN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C1)O)=O |
| Synonyms | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-hydroxyazetidine-3-carboxylic acid,
2044773-70-6,
AKOS033982870,
ZINC536948320,
Z2692093579,
1-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.347g/mol |
| Monoisotopic Mass | 339.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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