| CAS Number | 2003985-34-8 |
| Catalog Number | AG01EKQ3 |
| Chemical Name | α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-methylcyclohexaneacetic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid |
| InChI | InChI=1S/C24H27NO4/c1-24(13-7-2-8-14-24)21(22(26)27)25-23(28)29-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20-21H,2,7-8,13-15H2,1H3,(H,25,28)(H,26,27) |
| InChI Key | IFIPWXDCTFSSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD31664986 |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.4755 |
| SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C4(C)CCCCC4 |
| Synonyms | AKOS034031510,
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(1-methylcyclohexyl)acetic acid,
2003985-34-8,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.483g/mol |
| Monoisotopic Mass | 393.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number