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ScientificNameLabel
Gentisic acid
PHCD compound ID : 1391
Chemical Names :
Gentisic acid , 2,5-Dihydroxybenzoic , 2,5-Dihydroxybenzoic acid
Molecular Formula : C7H6O4
Molecular Weight : 154.026609
More Details :
Names & Synonyms: 2,5-dihydroxybenzoic acid , 2,5-bis(oxidanyl)benzoic acid , gentisic acid
Smiles: Oc1ccc(c(c1)C(=O)O)O
InChi : InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChi Key : InChIKey=WXTMDXOMEHJXQO-UHFFFAOYSA-N
PubChem ID : 3469
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.134378
Hydrogen bond donor count : 3 Electric dipole moment : 1.988
XLogP : 0.616 VDW volume : 130.986964
Molecular weight : 154.026609 HOMO-LUMO gap : 8.271000
Herb list :
Refrences & Litretures:
  
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'
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.)'
557.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8116'      DOI:'10.1021/jf058057y'      Title:'Separation, Characterization, and Quantitation of Phenolic Acids in a Little-Known Blueberry (Vaccinium arctostaphylos L.) Fruit by HPLC-MS'
820.      Journal:'Not Bot Horti Agrobo'      Year:'2013'      Volume:'41'      Page:'414'      DOI:''      Title:'Chemical Composition of Celandine (Chelidonium majus L.) Extract and its Efects on Botrytis tulipae (Lib.) Lind Fungus and the Tulip'
970.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101163'      DOI:'10.1016/j.bcab.2019.101163'      Title:'Datura innoxia and Dipsacus laciniatus: Biological activity and phenolic composition'
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