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ScientificNameLabel
Benzyl salicylate
PHCD compound ID : 1556
Chemical Names :
Benzyl salicylate
Molecular Formula : C14H12O3
Molecular Weight : 228.078644
More Details :
Names & Synonyms: benzyl 2-hydroxybenzoate , 2-hydroxybenzoic acid (phenylmethyl) ester , (phenylmethyl) 2-oxidanylbenzoate , 2-hydroxybenzoic acid benzyl ester
Smiles: O=C(c1ccccc1O)OCc1ccccc1
InChi : InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChi Key : InChIKey=ZCTQGTTXIYCGGC-UHFFFAOYSA-N
PubChem ID : 8363
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.558425
Hydrogen bond donor count : 1 Electric dipole moment : 2.898
XLogP : 2.321 VDW volume : 212.102795
Molecular weight : 228.078644 HOMO-LUMO gap : 9.013000
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'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
548.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'360'      DOI:'10.1080/10412905.2007.9699305'      Title:'Essential Oil from the Flowers and Leaves of Cassia fstula L'
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
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'
976.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'46'      DOI:'10.1080/10412905.2006.9699382'      Title:'Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai'
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