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Propofol
ScientificNameLabel
Propofol
PHCD compound ID :
3771
Chemical Names :
Propofol
Molecular Formula :
C12H18O1
Molecular Weight :
178.135765
More Details :
Names & Synonyms:
2,6-diisopropylphenol , 2,6-di(propan-2-yl)phenol
Smiles:
CC(c1cccc(c1O)C(C)C)C
InChi :
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChi Key :
InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N
PubChem ID :
4943
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.856117
Hydrogen bond donor count :
1
Electric dipole moment :
1.391
XLogP :
3.244
VDW volume :
193.732666
Molecular weight :
178.135765
HOMO-LUMO gap :
9.147000
Herb list :
Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان
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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