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Home > Other Heterocycles > 683206-53-3
683206-53-3 | 1-Azabicyclo[2.2.2]octan-3-one, 2-(diphenylmethyl)-, (2S)-
CAS No: 683206-53-3 Catalog No: AG0064VS MDL No:
Product Description
Catalog Number:
AG0064VS
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-(diphenylmethyl)-, (2S)-
CAS Number:
683206-53-3
Molecular Formula:
C20H21NO
Molecular Weight:
291.3868
IUPAC Name:
(2S)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C20H21NO/c22-20-17-11-13-21(14-12-17)19(20)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2/t19-/m0/s1
InChI Key:
PQSXXBSNZJLXMQ-IBGZPJMESA-N
SMILES:
O=C1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.394g/mol
Monoisotopic Mass:
291.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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