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4-Formyl-2-methylpyridine

CAT: 0024-sc-261976ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-261976ASize:5 g
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CAS Number
63875-01-4

Chemical Information

2-Methylpyridine-4-carbaldehyde
CAS Number63875-01-4
PubChem CID2763000
IUPAC Name2-methylpyridine-4-carbaldehyde
Molecular FormulaC7H7NO
Molecular Weight121.14
XLogP0.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity103
SMILES
CC1=NC=CC(=C1)C=O
InChI
InChI=1S/C7H7NO/c1-6-4-7(5-9)2-3-8-6/h2-5H,1H3
InChIKey
SUMAWDZJEIQACJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpyridine-4-carbaldehyde
CAS: 63875-01-4
CID: 2763000
Formula: C7H7NO
MW: 121.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.14
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass121.052763847
Monoisotopic Mass121.052763847
Topological Polar Surface Area30 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
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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