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ScientificNameLabel
4-Ethylcatechol
PHCD compound ID : 4795
Chemical Names :
4-Ethylcatechol
Molecular Formula : C8H10O2
Molecular Weight : 138.06808
More Details :
Names & Synonyms: 4-ethylbenzene-1,2-diol , 4-ethylpyrocatechol
Smiles: CCc1ccc(c(c1)O)O
InChi : InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChi Key : InChIKey=HFLGBNBLMBSXEM-UHFFFAOYSA-N
PubChem ID : 70761
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.768136
Hydrogen bond donor count : 2 Electric dipole moment : 2.089
XLogP : 1.939 VDW volume : 133.338954
Molecular weight : 138.06808 HOMO-LUMO gap : 8.830000
Herb list :
Refrences & Litretures:
  
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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'
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