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ScientificNameLabel
2-Butenal
PHCD compound ID : 2258
Chemical Names :
But-2-enal , 2-butenal(E) , 2-Butenal
Molecular Formula : C4H6O1
Molecular Weight : 70.041865
More Details :
Names & Synonyms: (E)-but-2-enal , (E)-2-butenal
Smiles: C/C=C/C=O
InChi : InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChi Key : InChIKey=MLUCVPSAIODCQM-NSCUHMNNSA-N
PubChem ID : 447466
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.135945
Hydrogen bond donor count : 0 Electric dipole moment : 4.143
XLogP : 0.817 VDW volume : 81.257707
Molecular weight : 70.041865 HOMO-LUMO gap : 9.818000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
589.      Journal:'Food Chemistry'      Year:'2004'      Volume:'84'      Page:'367'      DOI:'10.1016/S0308-8146(03)00241-3'      Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
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