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

Catalog Number
ACM175166491-1
Product Name
(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
Structure
(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
CAS
175166-49-1
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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
Molecular Weight
330.38
Molecular Formula
C21H18N2O2
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
Purity
>98.0%(LC)(N)
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
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
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