| CAS Number | 1175651-61-2 |
| Catalog Number | AG01DWY8 |
| Chemical Name | cis-1-(9-H-Fluoren-9-ylmethoxycarbonylamino)-indan-2-carboxylic acid |
| IUPAC Name | (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydro-1H-indene-2-carboxylic acid |
| InChI | InChI=1S/C25H21NO4/c27-24(28)21-13-15-7-1-2-8-16(15)23(21)26-25(29)30-14-22-19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h1-12,21-23H,13-14H2,(H,26,29)(H,27,28)/t21-,23+/m1/s1 |
| InChI Key | SNHQBYUMRKLGIF-GGAORHGYSA-N |
| MDL Number | MFCD09260410 |
| Molecular Formula | C25H21NO4 |
| Molecular Weight | 399.4385 |
| SMILES | O=C(N[C@@H]1[C@@H](Cc2c1cccc2)C(=O)O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | cis-1-(9-H-Fluoren-9-ylmethoxycarbonylamino)-indan-2-carboxylic acid,
1175651-61-2,
MFCD09260410,
ZINC32099055,
AB49904,
OR307652,
T6869,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.446g/mol |
| Monoisotopic Mass | 399.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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