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4-Hydroxy-1-methyl-2-pyridone

CAT: 0024-sc-491137Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491137Size:100 mg
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CAS Number
40357-87-7

Chemical Information

4-Hydroxy-1-methyl-1,2-dihydropyridin-2-one
CAS Number40357-87-7
PubChem CID54684523
IUPAC Name4-hydroxy-1-methylpyridin-2-one
Molecular FormulaC6H7NO2
Molecular Weight125.13
XLogP-0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity193
SMILES
CN1C=CC(=CC1=O)O
InChI
InChI=1S/C6H7NO2/c1-7-3-2-5(8)4-6(7)9/h2-4,8H,1H3
InChIKey
ISFRSMMUUQWJCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-1-methyl-1,2-dihydropyridin-2-one
CAS: 40357-87-7
CID: 54684523
Formula: C6H7NO2
MW: 125.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.13
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.047678466
Monoisotopic Mass125.047678466
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes