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ScientificNameLabel
Pent-2-enal
PHCD compound ID : 2259
Chemical Names :
Pent-2-enal
Molecular Formula : C5H8O1
Molecular Weight : 84.057515
More Details :
Names & Synonyms: pent-2-enal , 2-pentenal
Smiles: CC/C=C/C=O
InChi : InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChi Key : InChIKey=DTCCTIQRPGSLPT-ONEGZZNKSA-N
PubChem ID : 12993
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.116063
Hydrogen bond donor count : 0 Electric dipole moment : 4.170
XLogP : 1.281 VDW volume : 98.553691
Molecular weight : 84.057515 HOMO-LUMO gap : 9.809000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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