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Home > Pyridines > 1422068-16-3
1422068-16-3 | (3S,3aS,7aR)-3-(pyridin-2-yloxy)octahydropyrano[3,2-b]pyrrole
CAS No: 1422068-16-3 Catalog No: AG01DK73 MDL No:
Product Description
Catalog Number:
AG01DK73
Chemical Name:
(3S,3aS,7aR)-3-(pyridin-2-yloxy)octahydropyrano[3,2-b]pyrrole
CAS Number:
1422068-16-3
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(3S,3aS,7aR)-3-pyridin-2-yloxy-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
InChI:
InChI=1S/C12H16N2O2/c1-2-6-13-11(5-1)16-10-8-14-9-4-3-7-15-12(9)10/h1-2,5-6,9-10,12,14H,3-4,7-8H2/t9-,10+,12+/m1/s1
InChI Key:
SCRAHVQESAVTKO-SCVCMEIPSA-N
SMILES:
C1CC[C@@H]2[C@H](O1)[C@H](CN2)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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