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Home > Pyridines > 1422065-56-2
1422065-56-2 | (3aR,5R,7aR)-5-((pyridin-3-ylmethoxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS No: 1422065-56-2 Catalog No: AG01DHKT MDL No:
Product Description
Catalog Number:
AG01DHKT
Chemical Name:
(3aR,5R,7aR)-5-((pyridin-3-ylmethoxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS Number:
1422065-56-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
(3aR,5R,7aR)-5-(pyridin-3-ylmethoxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
InChI:
InChI=1S/C14H20N2O2/c1-2-11(8-15-6-1)9-17-10-12-3-4-13-14(18-12)5-7-16-13/h1-2,6,8,12-14,16H,3-5,7,9-10H2/t12-,13-,14-/m1/s1
InChI Key:
XOKBKQZPZJDEDZ-MGPQQGTHSA-N
SMILES:
C1N[C@H]2[C@@H](C1)O[C@H](CC2)COCc1cccnc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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