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ScientificNameLabel
Thymohydroquinone
PHCD compound ID : 3355
Chemical Names :
Thymohydroquinone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 2-isopropyl-5-methyl-benzene-1,4-diol , 2-methyl-5-propan-2-ylbenzene-1,4-diol , 2-methyl-5-propan-2-yl-benzene-1,4-diol , 2-isopropyl-5-methyl-hydroquinone
Smiles: CC(c1cc(O)c(cc1O)C)C
InChi : InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3
InChi Key : InChIKey=OQIOHYHRGZNZCW-UHFFFAOYSA-N
PubChem ID : 95779
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.489148
Hydrogen bond donor count : 2 Electric dipole moment : 0.252
XLogP : 1.984 VDW volume : 167.930924
Molecular weight : 166.09938 HOMO-LUMO gap : 8.547000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
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