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ScientificNameLabel
Thymodihydoquinone
PHCD compound ID : 854
Chemical Names :
Thymodihydoquinone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms:
Smiles: Oc1ccc(cc1O)C(C)(C)C
InChi : InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChi Key : InChIKey=XESZUVZBAMCAEJ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.743324
Hydrogen bond donor count : 2 Electric dipole moment : 2.049
XLogP : 3.305 VDW volume : 167.930924
Molecular weight : 166.09938 HOMO-LUMO gap : 8.849000
Herb list :
Refrences & Litretures:
  
70.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2002'      Volume:'29'      Page:'691'      DOI:''      Title:'GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle'
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