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1,2-Propanediol
PHCD compound ID : 1625
Chemical Names :
1,2-Propanediol
Molecular Formula : C3H8O2
Molecular Weight : 76.052429
More Details :
Names & Synonyms: propane-1,2-diol
Smiles: OC[C@H](O)C
InChi : InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
InChi Key : InChIKey=DNIAPMSPPWPWGF-GSVOUGTGSA-N
PubChem ID : 1030
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.496075
Hydrogen bond donor count : 2 Electric dipole moment : 2.921
XLogP : -0.748 VDW volume : 78.024866
Molecular weight : 76.052429 HOMO-LUMO gap : 13.033000
Herb list :
Refrences & Litretures:
  
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
301.      Journal:'Journal of Chromatography A'      Year:'930'      Volume:'2001'      Page:'1'      DOI:''      Title:'Comparison of simultaneous distillation extraction and solid-phase microextraction for the determination of volatile ?avor components'
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