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1422058-22-7 | (3S,3aS,7aS)-3-(pyridin-3-yloxy)octahydropyrano[3,2-b]pyrrole
CAS No: 1422058-22-7 Catalog No: AG01DK76 MDL No:
Product Description
Catalog Number:
AG01DK76
Chemical Name:
(3S,3aS,7aS)-3-(pyridin-3-yloxy)octahydropyrano[3,2-b]pyrrole
CAS Number:
1422058-22-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(3S,3aS,7aS)-3-pyridin-3-yloxy-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
InChI:
InChI=1S/C12H16N2O2/c1-3-9(7-13-5-1)16-11-8-14-10-4-2-6-15-12(10)11/h1,3,5,7,10-12,14H,2,4,6,8H2/t10-,11-,12-/m0/s1
InChI Key:
JJAVJKRRMKBGBG-SRVKXCTJSA-N
SMILES:
C1CC[C@H]2[C@H](O1)[C@H](CN2)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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