| CAS Number | 2138226-21-6 |
| Catalog Number | AG01EKTC |
| Chemical Name | 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid |
| InChI | InChI=1S/C25H21NO4/c27-24(28)17-9-10-18-14-26(12-11-16(18)13-17)25(29)30-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,13,23H,11-12,14-15H2,(H,27,28) |
| InChI Key | MSBOCURKBAZTRR-UHFFFAOYSA-N |
| MDL Number | MFCD31421834 |
| Molecular Formula | C25H21NO4 |
| Molecular Weight | 399.4385 |
| SMILES | O=C(O)C1=CC2=C(C=C1)CN(CC2)C(OCC3C4=C(C=CC=C4)C5=C3C=CC=C5)=O |
| Synonyms | 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid,
2138226-21-6,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.446g/mol |
| Monoisotopic Mass | 399.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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