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Home > Pyridines > 1422058-16-9
1422058-16-9 | (4aS,7S,7aR)-7-(pyridin-3-yloxy)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422058-16-9 Catalog No: AG01DK6Z MDL No:
Product Description
Catalog Number:
AG01DK6Z
Chemical Name:
(4aS,7S,7aR)-7-(pyridin-3-yloxy)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422058-16-9
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(4aS,7S,7aR)-7-pyridin-3-yloxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C12H16N2O2/c1-2-9(8-13-5-1)16-11-4-3-10-12(11)15-7-6-14-10/h1-2,5,8,10-12,14H,3-4,6-7H2/t10-,11-,12+/m0/s1
InChI Key:
SMKXHPBQNHDLGQ-SDDRHHMPSA-N
SMILES:
C1CN[C@@H]2[C@@H](O1)[C@H](CC2)Oc1cccnc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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