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ScientificNameLabel
Ethyl salicylate
PHCD compound ID : 2368
Chemical Names :
Ethyl salicylate
Molecular Formula : C9H10O3
Molecular Weight : 166.062994
More Details :
Names & Synonyms: ethyl 2-hydroxybenzoate , 2-hydroxybenzoic acid ethyl ester , ethyl 2-oxidanylbenzoate
Smiles: CCOC(=O)c1ccccc1O
InChi : InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChi Key : InChIKey=GYCKQBWUSACYIF-UHFFFAOYSA-N
PubChem ID : 8365
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.496399
Hydrogen bond donor count : 1 Electric dipole moment : 2.729
XLogP : 1.652 VDW volume : 156.788707
Molecular weight : 166.062994 HOMO-LUMO gap : 9.028000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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