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Home > Other Heterocycles > 1384424-48-9
1384424-48-9 | (1R,5S)-7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
CAS No: 1384424-48-9 Catalog No: AG019U5H MDL No:MFCD22196364
Product Description
Catalog Number:
AG019U5H
Chemical Name:
(1R,5S)-7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
CAS Number:
1384424-48-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD22196364
IUPAC Name:
(1R,5S)-7-benzyl-2-oxa-7-azabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C14H17NO2/c16-14-12-6-7-17-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChI Key:
KIHFTERTCRBQJS-QWHCGFSZSA-N
SMILES:
O=C1[C@H]2CCO[C@@H]1CN(C2)Cc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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