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Home > Pyridines > 1422134-22-2
1422134-22-2 | (4aS,7R,7aR)-7-(pyridin-2-yloxy)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422134-22-2 Catalog No: AG01DK77 MDL No:
Product Description
Catalog Number:
AG01DK77
Chemical Name:
(4aS,7R,7aR)-7-(pyridin-2-yloxy)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422134-22-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(4aS,7R,7aR)-7-pyridin-2-yloxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C12H16N2O2/c1-2-6-14-11(3-1)16-10-5-4-9-12(10)15-8-7-13-9/h1-3,6,9-10,12-13H,4-5,7-8H2/t9-,10+,12+/m0/s1
InChI Key:
IFHDABULNMSCNP-HOSYDEDBSA-N
SMILES:
C1CN[C@@H]2[C@@H](O1)[C@@H](CC2)Oc1ccccn1
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:
1
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