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1-Methyl-4-pyridone

CAT: 0572-TRC-M326460-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M326460-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
695-19-2
Synonyms
1-Methyl-4(1H)-pyridinone; 1-Methyl-4(1H)-pyridone; 1-Methyl-4-oxopyridine; N-Methyl-4-pyridone; N-Methyl-gamma-pyridone;
Hazard Statement
No Data Available
Smiles
CN1C=CC(=O)C=C1
Molecular Formula
C6H7NO
Molecular Weight
109.13
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

N-Methyl-4-pyridone
CAS Number695-19-2
PubChem CID136515
IUPAC Name1-methylpyridin-4-one
Molecular FormulaC6H7NO
Molecular Weight109.13
XLogP-1.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity142
SMILES
CN1C=CC(=O)C=C1
InChI
InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
OYPBUQASUUMJKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-4-pyridone
CAS: 695-19-2
CID: 136515
Formula: C6H7NO
MW: 109.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight109.13
XLogP3-1.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass109.052763847
Monoisotopic Mass109.052763847
Topological Polar Surface Area20.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity142
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

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