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3,6-Dimethylpicolinaldehyde

CAT: 0127-OR1069035-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1069035-01Size:50 mg
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CAS Number
1211527-34-2
Purity
97%
Smiles
O=CC1=NC(C)=CC=C1C

Chemical Information

3,6-Dimethylpicolinaldehyde
CAS Number1211527-34-2
PubChem CID21702829
IUPAC Name3,6-dimethylpyridine-2-carbaldehyde
Molecular FormulaC8H9NO
Molecular Weight135.16
XLogP1.4
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity124
SMILES
CC1=C(N=C(C=C1)C)C=O
InChI
InChI=1S/C8H9NO/c1-6-3-4-7(2)9-8(6)5-10/h3-5H,1-2H3
InChIKey
MMSJHIUJTDUHAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dimethylpicolinaldehyde
CAS: 1211527-34-2
CID: 21702829
Formula: C8H9NO
MW: 135.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.16
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass135.068413911
Monoisotopic Mass135.068413911
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
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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