| CAS Number | 919528-86-2 |
| Catalog Number | AG01EKTV(AGN-PC-0VXHLB) |
| Chemical Name | 3-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}propanoic acid |
| IUPAC Name | 3-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]propanoic acid |
| InChI | InChI=1S/C25H23NO4/c27-24(28)14-13-17-9-11-18(12-10-17)15-26-25(29)30-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2,(H,26,29)(H,27,28) |
| InChI Key | CAAHTEAHTPGWRR-UHFFFAOYSA-N |
| MDL Number | MFCD31666716 |
| Molecular Formula | C25H23NO4 |
| Molecular Weight | 401.4544 |
| SMILES | OC(CCC1=CC=C(CNC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=C1)=O |
| Synonyms | SCHEMBL2631637,
CAAHTEAHTPGWRR-UHFFFAOYSA-N,
3-(4-{[(fluoren-9-ylmethoxy)carbonylamino]-methyl}phenyl)propanoic acid,
3-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}propanoic acid,
919528-86-2,
|
| Complexity | 564 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.462g/mol |
| Monoisotopic Mass | 401.163g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number