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Benzenemethanol.3.5-dimethyl-
PHCD compound ID : 3741
Chemical Names :
Benzenemethanol.3.5-dimethyl-
Molecular Formula : C9H12O1
Molecular Weight : 136.088815
More Details :
Names & Synonyms: (3,5-dimethylphenyl)methanol
Smiles: OCc1cc(C)cc(c1)C
InChi : InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
InChi Key : InChIKey=IQWWTJDRVBWBEL-UHFFFAOYSA-N
PubChem ID : 33706
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.367821
Hydrogen bond donor count : 1 Electric dipole moment : 2.186
XLogP : 1.377 VDW volume : 141.844712
Molecular weight : 136.088815 HOMO-LUMO gap : 9.596000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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