| CAS Number | 2005443-90-1 |
| Catalog Number | AG00ILTN(AGN-PC-0WGC0V) |
| Chemical Name | (3aR,3'aR,8aS,8'aS)-2,2'-Cyclopentylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] |
| IUPAC Name | 2-[1-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)cyclopentyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole |
| InChI | InChI=1S/C25H24N2O2/c1-3-9-17-15(7-1)13-19-21(17)26-23(28-19)25(11-5-6-12-25)24-27-22-18-10-4-2-8-16(18)14-20(22)29-24/h1-4,7-10,19-22H,5-6,11-14H2 |
| InChI Key | IUZHBHBWSAWDRX-UHFFFAOYSA-N |
| MDL Number | MFCD32201245 |
| Molecular Formula | C25H24N2O2 |
| Molecular Weight | 384.4703 |
| SMILES | C(C1(CCCC1)C(O2)=N[C@H]3[C@@H]2CC4=C3C=CC=C4)(O5)=N[C@H]6[C@@H]5CC7=C6C=CC=C7 |
| Synonyms | 2005443-90-1,
(3aR,3'aR,8aS,8'aS)-2,2'-Cyclopentylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole] 98%, (99% ee)@CRLF2005443-90-1,
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| Complexity | 683 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.183778g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.5g/mol |
| Monoisotopic Mass | 384.183778g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.2Ų |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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