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1228666-25-8 | 1-(2-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)ethanone
CAS No: 1228666-25-8 Catalog No: AG00HH3X MDL No:MFCD15530252
Product Description
Catalog Number:
AG00HH3X
Chemical Name:
1-(2-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)ethanone
CAS Number:
1228666-25-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD15530252
IUPAC Name:
1-(2-methoxy-6-pyrrolidin-1-ylpyridin-3-yl)ethanone
InChI:
InChI=1S/C12H16N2O2/c1-9(15)10-5-6-11(13-12(10)16-2)14-7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
OTZBSFUABFFMTH-UHFFFAOYSA-N
SMILES:
COc1nc(ccc1C(=O)C)N1CCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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