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ScientificNameLabel
2-acetylpyridine
PHCD compound ID : 4023
Chemical Names :
2-acetylpyridine
Molecular Formula : C7H7N1O1
Molecular Weight : 121.052764
More Details :
Names & Synonyms: 1-(2-pyridyl)ethanone , 1-(2-pyridinyl)ethanone , 1-pyridin-2-ylethanone
Smiles: CC(=O)c1ccccn1
InChi : InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
InChi Key : InChIKey=AJKVQEKCUACUMD-UHFFFAOYSA-N
PubChem ID : 14286
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.268715
Hydrogen bond donor count : 0 Electric dipole moment : 2.938
XLogP : 0.16 VDW volume : 115.613044
Molecular weight : 121.052764 HOMO-LUMO gap : 9.376000
Herb list :
Refrences & Litretures:
  
553.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'5226'      DOI:'10.1021/jf400807w'      Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'
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