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ScientificNameLabel
Oxiranemethanol
PHCD compound ID : 1088
Chemical Names :
Oxiranemethanol
Molecular Formula : C3H6O2
Molecular Weight : 74.036779
More Details :
Names & Synonyms: oxiran-2-ylmethanol , 2-oxiranylmethanol
Smiles: OC[C@@H]1CO1
InChi : InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1
InChi Key : InChIKey=CTKINSOISVBQLD-GSVOUGTGSA-N
PubChem ID : 11164
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.621052
Hydrogen bond donor count : 1 Electric dipole moment : 1.475
XLogP : -0.862 VDW volume : 65.668407
Molecular weight : 74.036779 HOMO-LUMO gap : 12.445000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
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