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ScientificNameLabel
Tetradec-2-enoic acid
PHCD compound ID : 2243
Chemical Names :
Tetradec-2-enoic acid
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: (E)-tetradec-2-enoic acid , (E)-2-tetradecenoic acid
Smiles: CCCCCCCCCCC/C=C/C(=O)O
InChi : InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/b13-12+
InChi Key : InChIKey=IBYFOBGPNPINBU-OUKQBFOZSA-N
PubChem ID : 5282738
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.602303
Hydrogen bond donor count : 1 Electric dipole moment : 2.438
XLogP : 6.321 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.457000
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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