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50405-58-8 | 1-Hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinone
CAS No: 50405-58-8 Catalog No: AG01ENLM MDL No:
Product Description
Catalog Number:
AG01ENLM
Chemical Name:
1-Hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinone
CAS Number:
50405-58-8
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
6-benzyl-1-hydroxy-4-methylpyridin-2-one
InChI:
InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChI Key:
AVLZAVSZOAQKRC-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2ccccc2)n(c(=O)c1)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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