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ScientificNameLabel
Butanal
PHCD compound ID : 2257
Chemical Names :
Butanal
Molecular Formula : C4H8O1
Molecular Weight : 72.057515
More Details :
Names & Synonyms: butanal , butyraldehyde
Smiles: CCCC=O
InChi : InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChi Key : InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
PubChem ID : 261
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.159987
Hydrogen bond donor count : 0 Electric dipole moment : 2.960
XLogP : 1.156 VDW volume : 83.894165
Molecular weight : 72.057515 HOMO-LUMO gap : 10.875000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
552.      Journal:'Radiation Physics and Chemistry'      Year:'2009'      Volume:'78'      Page:'407'      DOI:'10.1016/j.radphyschem.2009.03.008'      Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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