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Home > Pyridines > 948853-54-1
948853-54-1 | 1-(2-pyridinylcarbonyl)-4-piperidinone
CAS No: 948853-54-1 Catalog No: AG00J1RY MDL No:MFCD09931808
Product Description
Catalog Number:
AG00J1RY
Chemical Name:
1-(2-pyridinylcarbonyl)-4-piperidinone
CAS Number:
948853-54-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD09931808
IUPAC Name:
1-(pyridine-2-carbonyl)piperidin-4-one
InChI:
InChI=1S/C11H12N2O2/c14-9-4-7-13(8-5-9)11(15)10-3-1-2-6-12-10/h1-3,6H,4-5,7-8H2
InChI Key:
KQLKWONYUHIZAP-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)c1ccccn1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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