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2,6-Dimethyl-4-hydroxypyridine

CAT: 0862-GK9060-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GK9060-1gSize:1 g
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CAS Number
13603-44-6
MDL Number
MFCD00956021
HS Code
2933399990
Purity
98.00%
Molecular Formula
C7H9NO
Molecular Weight
123.16
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

2,6-Dimethyl-4-pyridinol
CAS Number13603-44-6
PubChem CID83609
IUPAC Name2,6-dimethyl-1H-pyridin-4-one
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP0.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity181
SMILES
CC1=CC(=O)C=C(N1)C
InChI
InChI=1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)
InChIKey
PRAFLUMTYHBEHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethyl-4-pyridinol
CAS: 13603-44-6
CID: 83609
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area29.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity181
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