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CAS No.:
151213-50-2
Catalog Number:
AG01DXEJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DXEJ
CAS Number:
151213-50-2
MDL Number:
MFCD28396738
IUPAC Name:
(4aR,7aS)-4-benzyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
InChI:
InChI=1S/C13H18N2O/c1-2-4-11(5-3-1)10-15-6-7-16-13-9-14-8-12(13)15/h1-5,12-14H,6-10H2/t12-,13+/m1/s1
InChI Key:
GXVSLYAKJGKRCK-OLZOCXBDSA-N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties