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ScientificNameLabel
Propanal
PHCD compound ID : 2255
Chemical Names :
Propanal
Molecular Formula : C3H6O1
Molecular Weight : 58.041865
More Details :
Names & Synonyms: propanal , propionaldehyde
Smiles: CCC=O
InChi : InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChi Key : InChIKey=NBBJYMSMWIIQGU-UHFFFAOYSA-N
PubChem ID : 527
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.149763
Hydrogen bond donor count : 0 Electric dipole moment : 2.889
XLogP : 0.587 VDW volume : 66.598181
Molecular weight : 58.041865 HOMO-LUMO gap : 10.881000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
760.      Journal:'International Journal of ChemTech Research'      Year:'2014'      Volume:'6'      Page:'4918'      DOI:''      Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'
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