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ScientificNameLabel
(Z)-3-Hexenyl tiglate
PHCD compound ID : 1548
Chemical Names :
(Z)-3-Hexenyl tiglate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: [(Z)-hex-2-enyl] (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid [(Z)-hex-2-enyl] ester , (E)-2-methylbut-2-enoic acid [(Z)-hex-2-enyl] ester
Smiles: CCC/C=C\COC(=O)/C(=C/C)/C
InChi : InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5,7-8H,4,6,9H2,1-3H3/b8-7-,10-5+
InChi Key : InChIKey=UEDNMMNLPZRYMI-GBLFQTLVSA-N
PubChem ID : 5352469
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.815675
Hydrogen bond donor count : 0 Electric dipole moment : 1.884
XLogP : 3.41 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.882000
Herb list :
Refrences & Litretures:
  
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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