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ScientificNameLabel
Salicylaldehyde
PHCD compound ID : 1489
Chemical Names :
Salicylaldehyde
Molecular Formula : C7H6O2
Molecular Weight : 122.036779
More Details :
Names & Synonyms: 2-hydroxybenzaldehyde , 2-oxidanylbenzaldehyde
Smiles: O=Cc1ccccc1O
InChi : InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChi Key : InChIKey=SMQUZDBALVYZAC-UHFFFAOYSA-N
PubChem ID : 6998
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.662288
Hydrogen bond donor count : 1 Electric dipole moment : 4.500
XLogP : 0.989 VDW volume : 113.406511
Molecular weight : 122.036779 HOMO-LUMO gap : 8.960000
Herb list :
Refrences & Litretures:
  
160.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'802'      DOI:'10.1080/14786419.2011.558013'      Title:'Composition of essential oil and biological activity of extracts of Viola odorata L. from central Iran'
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
498.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'313'      DOI:'10.1080/0972060X.2010.10643826'      Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
992.      Journal:'Research in Pharmaceutical Sciences'      Year:'2012'      Volume:'7'      Page:'S765'      DOI:''      Title:'Volatile composition of the essential oil Salix excelsa from Iran'
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