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Home > Pyridines > 1422140-79-1
1422140-79-1 | (3aR,5S,7aR)-5-((pyridin-3-yloxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS No: 1422140-79-1 Catalog No: AG01DKIK MDL No:
Product Description
Catalog Number:
AG01DKIK
Chemical Name:
(3aR,5S,7aR)-5-((pyridin-3-yloxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS Number:
1422140-79-1
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
(3aR,5S,7aR)-5-(pyridin-3-yloxymethyl)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
InChI:
InChI=1S/C13H18N2O2/c1-2-10(8-14-6-1)16-9-11-3-4-12-13(17-11)5-7-15-12/h1-2,6,8,11-13,15H,3-5,7,9H2/t11-,12+,13+/m0/s1
InChI Key:
ZQZHMPUZJIJMCV-YNEHKIRRSA-N
SMILES:
C1N[C@H]2[C@@H](C1)O[C@@H](CC2)COc1cccnc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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