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ScientificNameLabel
Pentadec-3-enal
PHCD compound ID : 1516
Chemical Names :
Pentadec-3-enal
Molecular Formula : C15H28O1
Molecular Weight : 224.214016
More Details :
Names & Synonyms: (E)-pentadec-3-enal , (E)-3-pentadecenal
Smiles: CCCCCCCCCCC/C=C/CC=O
InChi : InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h12-13,15H,2-11,14H2,1H3/b13-12+
InChi Key : InChIKey=CLUQHDODXPPERO-OUKQBFOZSA-N
PubChem ID : 15138499
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.792458
Hydrogen bond donor count : 0 Electric dipole moment : 3.136
XLogP : 7.088 VDW volume : 271.513537
Molecular weight : 224.214016 HOMO-LUMO gap : 10.521000
Herb list :
Refrences & Litretures:
  
162.      Journal:'Phytochemistry'      Year:'1992'      Volume:'31'      Page:'571'      DOI:''      Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
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