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3-Methoxy-2-methylpyridine

CAT: 0127-OR345314-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR345314-01Size:250 mg
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CAS Number
26395-26-6
MDL Number
MFCD00128178
Purity
98%
Smiles
COc1cccnc1C

Chemical Information

3-Methoxy-2-methylpyridine
CAS Number26395-26-6
PubChem CID3015270
IUPAC Name3-methoxy-2-methylpyridine
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP1.2
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CC1=C(C=CC=N1)OC
InChI
InChI=1S/C7H9NO/c1-6-7(9-2)4-3-5-8-6/h3-5H,1-2H3
InChIKey
QRCUQLANPHYVEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-2-methylpyridine
CAS: 26395-26-6
CID: 3015270
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area22.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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