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ScientificNameLabel
(Z)-3-hexenyl salicylate
PHCD compound ID : 5274
Chemical Names :
(Z)-3-hexenyl salicylate , (Z)-hex-3-enyl salicylate
Molecular Formula : C13H16O3
Molecular Weight : 220.109944
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] 2-hydroxybenzoate , 2-hydroxybenzoic acid [(Z)-hex-3-enyl] ester , [(Z)-hex-3-enyl] 2-hydroxybenzoate , [(Z)-hex-3-enyl] 2-oxidanylbenzoate
Smiles: CC/C=C\CCOC(=O)c1ccccc1O
InChi : InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
InChi Key : InChIKey=IEPWIPZLLIOZLU-ARJAWSKDSA-N
PubChem ID : 5371102
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.468043
Hydrogen bond donor count : 1 Electric dipole moment : 2.910
XLogP : 3.201 VDW volume : 223.336187
Molecular weight : 220.109944 HOMO-LUMO gap : 9.036000
Herb list :
Refrences & Litretures:
  
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'
975.      Journal:'Flavour Fragr. J'      Year:'1998'      Volume:'13'      Page:'373'      DOI:'10.1002/(SICI)1099-1026(199811/12)13:6<373::AID-FFJ749>3.0.CO;2-G'      Title:'Constituents of the essential oil of Solidago virgaurea L'
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