Skip Navigation Links
ScientificNameLabel
Benzoic
PHCD compound ID : 1386
Chemical Names :
Benzoic acid , Benzoic
Molecular Formula : C7H6O2
Molecular Weight : 122.036779
More Details :
Names & Synonyms: benzoic acid
Smiles: OC(=O)c1ccccc1
InChi : InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChi Key : InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-N
PubChem ID : 243
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.264432
Hydrogen bond donor count : 1 Electric dipole moment : 2.333
XLogP : 0.982 VDW volume : 113.406511
Molecular weight : 122.036779 HOMO-LUMO gap : 9.517000
Herb list :
Refrences & Litretures:
  
147.      Journal:'Can. J. Plant Sci'      Year:'2001'      Volume:'81'      Page:'815'      DOI:''      Title:'Identification of allelopathic compounds from rice (Oryza sativa L.) straw and their biological activity'
148.      Journal:'Crop Protection'      Year:'2002'      Volume:'21'      Page:'913'      DOI:''      Title:'Screening of allelochemicals on barnyardgrass (Echinochloa crus-galli) and identi?cation of potentially allelopathic compounds from rice (Oryza sativa) variety hull extracts'
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'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
320.      Journal:'Journal of Chemical Ecology'      Year:'1994'      Volume:'20'      Page:'21'      DOI:''      Title:'PHYTOTOXIC SUBSTANCES IN ROOT EXUDATES OF CUCUMBER (Cucumis sativus L.)'
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'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
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'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us