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ScientificNameLabel
2-methylpropanal
PHCD compound ID : 4096
Chemical Names :
2-methyl-1-propanal , 2-methylpropanal
Molecular Formula : C4H8O1
Molecular Weight : 72.057515
More Details :
Names & Synonyms: 2-methylpropanal , 2-methylpropionaldehyde
Smiles: O=CC(C)C
InChi : InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChi Key : InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N
PubChem ID : 6561
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.033580
Hydrogen bond donor count : 0 Electric dipole moment : 3.195
XLogP : 0.88 VDW volume : 83.894165
Molecular weight : 72.057515 HOMO-LUMO gap : 10.749000
Herb list :
Refrences & Litretures:
  
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
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)'
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