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ScientificNameLabel
1,3-Benzenediol,4-ethyl
PHCD compound ID : 1842
Chemical Names :
1,3-Benzenediol,4-ethyl
Molecular Formula : C8H10O2
Molecular Weight : 138.06808
More Details :
Names & Synonyms: 4-ethylbenzene-1,3-diol , 4-ethylresorcinol
Smiles: CCc1ccc(cc1O)O
InChi : InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
InChi Key : InChIKey=VGMJYYDKPUPTID-UHFFFAOYSA-N
PubChem ID : 17927
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.919598
Hydrogen bond donor count : 2 Electric dipole moment : 1.814
XLogP : 1.299 VDW volume : 133.338954
Molecular weight : 138.06808 HOMO-LUMO gap : 9.025000
Herb list :
Refrences & Litretures:
  
216.      Journal:'J. BioSci. Biotechnol'      Year:'2015'      Volume:'4'      Page:'117'      DOI:''      Title:'Identification of the essential oils composition from four ecotypes of Mentha longifolia (L.) Huds. growing wild in Isfahan province, Iran'
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