| CAS Number | 1983904-18-2 |
| Catalog Number | AG01BKAR |
| Chemical Name | (1R,3S,5R)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[3.1.0]hexane-3-carboxylic acid |
| IUPAC Name | (1R,5S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid |
| InChI | InChI=1S/C21H19NO4/c23-20(24)19-10-12-9-18(12)22(19)21(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-19H,9-11H2,(H,23,24)/t12-,18+,19?/m0/s1 |
| InChI Key | XOOXAQNBHBESGV-QZQNXRISSA-N |
| MDL Number | MFCD28389290 |
| Molecular Formula | C21H19NO4 |
| Molecular Weight | 349.3799 |
| SMILES | OC([C@H]1N(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)[C@H]2[C@H](C2)C1)=O |
| Synonyms | (1R,3S,5R)-2-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID,
1983904-18-2,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.386g/mol |
| Monoisotopic Mass | 349.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number