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Home > Pyridines > 1422058-26-1
1422058-26-1 | [(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(furan-2-yl)methanone
CAS No: 1422058-26-1 Catalog No: AG01DK6W MDL No:
Product Description
Catalog Number:
AG01DK6W
Chemical Name:
[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(furan-2-yl)methanone
CAS Number:
1422058-26-1
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(furan-2-yl)methanone
InChI:
InChI=1S/C12H16N2O2/c15-12(11-4-2-6-16-11)14-7-9-3-1-5-13-10(9)8-14/h2,4,6,9-10,13H,1,3,5,7-8H2/t9-,10+/m1/s1
InChI Key:
VWNRITNBBNUUOE-ZJUUUORDSA-N
SMILES:
O=C(c1ccco1)N1C[C@H]2[C@@H](C1)CCCN2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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