Bis((3aR,8aS)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)methane

Catalog Number	ACM180186941-2
CAS	180186-94-1
Structure
Synonyms	(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
IUPAC Name	(3aS,8bR)-2-[[(3aS,8bR)-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
Molecular Weight	330.38
Molecular Formula	C21H18N2O2
Canonical SMILES	C1C2C(C3=CC=CC=C31)N=C(O2)CC4=NC5C(O4)CC6=CC=CC=C56
InChI	BDHSVQLSNIGJNC-ZCLUNYJNSA-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+/m0/s1
Boiling Point	493.2±45.0 °C(Predicted)
Melting Point	225 °C
Purity	98%
Appearance	White powder
Exact Mass	330.136827821
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