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84953-72-0 | 4-Hydroxy-5,6-dimethylpyridin-2(1H)-one
CAS No: 84953-72-0 Catalog No: AG0036F5 MDL No:MFCD11113396
Product Description
Catalog Number:
AG0036F5
Chemical Name:
4-Hydroxy-5,6-dimethylpyridin-2(1H)-one
CAS Number:
84953-72-0
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD11113396
IUPAC Name:
4-hydroxy-5,6-dimethyl-1H-pyridin-2-one
InChI:
InChI=1S/C7H9NO2/c1-4-5(2)8-7(10)3-6(4)9/h3H,1-2H3,(H2,8,9,10)
InChI Key:
AIBSWEOXEMSHAN-UHFFFAOYSA-N
SMILES:
Cc1c(O)cc(=O)[nH]c1C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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