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1020719-52-1 | 2(1H)-Pyridinone, 5-(hydroxymethyl)-1-(phenyl-2,3,4,5,6-d5)-
CAS No: 1020719-52-1 Catalog No: AG0006JB MDL No:
Product Description
Catalog Number:
AG0006JB
Chemical Name:
2(1H)-Pyridinone, 5-(hydroxymethyl)-1-(phenyl-2,3,4,5,6-d5)-
CAS Number:
1020719-52-1
Molecular Formula:
C12H6D5NO2
Molecular Weight:
206.2520
IUPAC Name:
5-(hydroxymethyl)-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-one
InChI:
InChI=1S/C12H11NO2/c14-9-10-6-7-12(15)13(8-10)11-4-2-1-3-5-11/h1-8,14H,9H2/i1D,2D,3D,4D,5D
InChI Key:
YLTGBKWRQSGNOI-RALIUCGRSA-N
SMILES:
OCc1ccc(=O)n(c1)c1c([2H])c([2H])c(c(c1[2H])[2H])[2H]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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