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29094-75-5 | 2(1H)-Pyridinone, 5-hydroxy-1-methyl-
CAS No: 29094-75-5 Catalog No: AG002XAN MDL No:MFCD22690670
Product Description
Catalog Number:
AG002XAN
Chemical Name:
2(1H)-Pyridinone, 5-hydroxy-1-methyl-
CAS Number:
29094-75-5
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD22690670
IUPAC Name:
5-hydroxy-1-methylpyridin-2-one
InChI:
InChI=1S/C6H7NO2/c1-7-4-5(8)2-3-6(7)9/h2-4,8H,1H3
InChI Key:
JTZUTFHXEWRKJR-UHFFFAOYSA-N
SMILES:
Oc1ccc(=O)n(c1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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