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1020719-52-1,MFCD03701685
Catalog No.:AA0006GJ
1020719-52-1 | 2(1H)-Pyridinone, 5-(hydroxymethyl)-1-(phenyl-2,3,4,5,6-d5)-
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Technical Information
Catalog Number:
AA0006GJ
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
MDL Number:
MFCD03701685
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
Computed 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  

Synonyms
 
5-Hydroxymethyl-N-phenyl-2-1H-pyridone-d5 
1020719-52-1 
CS-T-27989 
5-(Hydroxymethyl)-1-phenyl-2(1H)-pyridinone 
CTK8F6875 
DTXSID70849620 
AKOS030243150 
FT-0669841 
J-000599 
5-(Hydroxymethyl)-1-(~2~H_5_)phenylpyridin-2(1H)-one 
2(1H)-Pyridinone, 5-(hydroxymethyl)-1-(phenyl-2,3,4,5,6-d5)- 
Literature
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