(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

• CAS: 175166-49-1
• Catalog Number: ACM175166491-1
• Category: Other Products
• Molecular Weight: 330.38
• Molecular Formula: C21H18N2O2
• Synonyms: Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)methane
• IUPAC Name: (3aR,8bS)-2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
• Canonical SMILES: C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56
• InChI: BDHSVQLSNIGJNC-JYWFKMLOSA-N
• InChI Key: InChI=1S/C21H18N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,16-17,20-21H,9-11H2/t16-,17-,20+,21+/m1/s1
• Boiling Point: 493.2±45.0 °C(Predicted)
• Melting Point: 224 °C
• Appearance: White powder
• Complexity: 563
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 330.136827821
• H-Bond Acceptor: 4
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)CC4=N[C@@H]5[C@H](O4)CC6=CC=CC=C56
• Monoisotopic Mass: 330.136827821
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 43.2 Ų