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ScientificNameLabel
(E)-2-Pentenal
PHCD compound ID : 586
Chemical Names :
(E)-2-Pentenal
Molecular Formula : C5H8O1
Molecular Weight : 84.057515
More Details :
Names & Synonyms: (E)-pent-2-enal , (E)-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 : 5364752
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.116257
Hydrogen bond donor count : 0 Electric dipole moment : 4.169
XLogP : 1.281 VDW volume : 98.553691
Molecular weight : 84.057515 HOMO-LUMO gap : 9.808000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
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