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6-methyl-5-phenylpicolinaldehyde

CAT: 0127-OR1090670-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1090670-01Size:250 mg
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CAS Number
2921724-20-9
MDL Number
MFCD34840064
Purity
97%
Smiles
C1 (c (nc (cc1) C=O) C) c1ccccc1

Chemical Information

6-Methyl-5-phenylpicolinaldehyde
CAS Number2921724-20-9
PubChem CID171066031
IUPAC Name6-methyl-5-phenylpyridine-2-carbaldehyde
Molecular FormulaC13H11NO
Molecular Weight197.23
XLogP2.7
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity211
SMILES
CC1=C(C=CC(=N1)C=O)C2=CC=CC=C2
InChI
InChI=1S/C13H11NO/c1-10-13(8-7-12(9-15)14-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
UAKSEFQFYOKATP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-5-phenylpicolinaldehyde
CAS: 2921724-20-9
CID: 171066031
Formula: C13H11NO
MW: 197.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.23
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass197.084063974
Monoisotopic Mass197.084063974
Topological Polar Surface Area30 Ų
Heavy Atom Count15
Formal Charge0
Complexity211
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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