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ScientificNameLabel
2-Methoxy-3-isopropylpyrazine
PHCD compound ID : 3085
Chemical Names :
2-Methoxy-3-isopropylpyrazine , 2-isopropyl-3-methoxypyrazine
Molecular Formula : C8H12N2O1
Molecular Weight : 152.094963
More Details :
Names & Synonyms: 2-isopropyl-3-methoxy-pyrazine , 2-methoxy-3-propan-2-ylpyrazine , 2-methoxy-3-propan-2-yl-pyrazine
Smiles: COc1nccnc1C(C)C
InChi : InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChi Key : InChIKey=NTOPKICPEQUPPH-UHFFFAOYSA-N
PubChem ID : 33166
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.399461
Hydrogen bond donor count : 0 Electric dipole moment : 1.243
XLogP : 0.069 VDW volume : 146.542248
Molecular weight : 152.094963 HOMO-LUMO gap : 8.981000
Herb list :
Refrences & Litretures:
  
399.      Journal:'Journal of Food, Agriculture & Environment'      Year:'2010'      Volume:'8'      Page:'204'      DOI:''      Title:'Pharmacological activities and chemical composition of the Olea europaea L. leaf essential oils from Tunisia'
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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