| CAS Number | 676371-66-7 |
| Catalog Number | AG00IBQJ(AGN-PC-0TPDZM) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C21H19NO4/c23-18(24)20-10-21(11-20,12-20)22-19(25)26-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,25)(H,23,24) |
| InChI Key | XMTSSOBUBCTQKW-UHFFFAOYSA-N |
| MDL Number | MFCD28389092 |
| Molecular Formula | C21H19NO4 |
| Molecular Weight | 349.3799 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NC12CC(C1)(C2)C(=O)O |
| Synonyms | 676371-66-7,
3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)bicyclo[1.1.1]pentane-1-carboxylic acid,
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[1.1.1]pentane-1-carboxylic acid,
ZINC38847101,
AKOS026739562,
FCH3776452,
OR312472,
CS-0078673,
3-(9H-Fluorene-9-ylmethoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid,
Bicyclo[1.1.1]pentane-1-carboxylic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,
|
| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.386g/mol |
| Monoisotopic Mass | 349.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number