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ScientificNameLabel
Methylbenzoate
PHCD compound ID : 1496
Chemical Names :
Methyl benzoate , Methylbenzoate , benzoic acid methyl ester
Molecular Formula : C8H8O2
Molecular Weight : 136.052429
More Details :
Names & Synonyms: methyl benzoate , benzoic acid methyl ester
Smiles: COC(=O)c1ccccc1
InChi : InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChi Key : InChIKey=QPJVMBTYPHYUOC-UHFFFAOYSA-N
PubChem ID : 7150
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.164730
Hydrogen bond donor count : 0 Electric dipole moment : 2.106
XLogP : 1.303 VDW volume : 130.702496
Molecular weight : 136.052429 HOMO-LUMO gap : 9.554000
Herb list :
Refrences & Litretures:
  
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
267.      Journal:'J Chem Ecol'      Year:'2013'      Volume:'39'      Page:'1129'      DOI:'10.1007/s10886-013-0302-3'      Title:'Characterization of Volatile Organic Compounds Emitted by Barley (Hordeum vulgare L.) Roots and Their Attractiveness to Wireworms'
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
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'
704.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2015'      Volume:'5'      Page:'1'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Eugenia caryophyllata Cloves Extracted by Conventional and Microwave Techniques'
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
830.      Journal:'Entomologia Generalis'      Year:'2018'      Volume:'37'      Page:'63'      DOI:'10.1127/entomologia/2017/0317'      Title:'Chemical composition and aphicidal potential of Citrus aurantium peel essential oils'
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