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2,4-Dimethyl-5-hydroxypyridine

CAT: 0024-sc-275343ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-275343ASize:100 mg
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CAS Number
27296-77-1

Chemical Information

4,6-Dimethyl-3-Hydroxypyridine
CAS Number27296-77-1
PubChem CID15047367
IUPAC Name4,6-dimethylpyridin-3-ol
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP1.3
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=CC(=NC=C1O)C
InChI
InChI=1S/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
InChIKey
OICQOTPIZHVKQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dimethyl-3-Hydroxypyridine
CAS: 27296-77-1
CID: 15047367
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight123.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area33.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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