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5-Formyl-2-methoxy-4-picoline

CAT: 0926-YEA50666Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-YEA50666Size:5 g
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CAS Number
123506-66-1
MDL Number
MFCD07368879
Smiles
CC1=CC (=NC=C1C=O) OC
Molecular Formula
C8H9NO2
Molecular Weight
151.16 g/mol
Controlled
No

Chemical Information

6-Methoxy-4-methylpyridine-3-carbaldehyde
CAS Number123506-66-1
PubChem CID14493537
IUPAC Name6-methoxy-4-methylpyridine-3-carbaldehyde
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
CC1=CC(=NC=C1C=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-3-8(11-2)9-4-7(6)5-10/h3-5H,1-2H3
InChIKey
DRPZNLLEUHICFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-4-methylpyridine-3-carbaldehyde
CAS: 123506-66-1
CID: 14493537
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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