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ScientificNameLabel
+(o)-Tolualdehyde ti
PHCD compound ID : 3349
Chemical Names :
+(o)-Tolualdehyde ti , 2-methylbenzaldehyde
Molecular Formula : C8H8O1
Molecular Weight : 120.057515
More Details :
Names & Synonyms: 2-methylbenzaldehyde
Smiles: O=Cc1ccccc1C
InChi : InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChi Key : InChIKey=BTFQKIATRPGRBS-UHFFFAOYSA-N
PubChem ID : 10722
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.832428
Hydrogen bond donor count : 0 Electric dipole moment : 3.392
XLogP : 1.455 VDW volume : 121.912269
Molecular weight : 120.057515 HOMO-LUMO gap : 9.219000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
497.      Journal:'World Appl. Sci. J'      Year:'2014'      Volume:'29'      Page:'171'      DOI:'10.5829/idosi.wasj.2014.29.02.1240'      Title:'Chemical Composition of the Essential Oil from Melilotus officinalis (L.) Pall'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
922.      Journal:'Acta Physiol Plant'      Year:'2010'      Volume:'32'      Page:'231'      DOI:'10.1007/s11738-009-0381-5'      Title:'Essential oil composition of Taraxacum of?cinale'
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