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Home > Pyridines > 1020719-62-3
1020719-62-3 | 2(1H)-Pyridinone, 5-methyl-1-(phenyl-2,3,4,5,6-d5)-
CAS No: 1020719-62-3 Catalog No: AG0006KF MDL No:
Product Description
Catalog Number:
AG0006KF
Chemical Name:
2(1H)-Pyridinone, 5-methyl-1-(phenyl-2,3,4,5,6-d5)-
CAS Number:
1020719-62-3
Molecular Formula:
C12H6D5NO
Molecular Weight:
190.2526
IUPAC Name:
5-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
InChI:
InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i2D,3D,4D,5D,6D
InChI Key:
ISWRGOKTTBVCFA-VIQYUKPQSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[2H])n1cc(C)ccc1=O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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