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ScientificNameLabel
Isoascaridol
PHCD compound ID : 827
Chemical Names :
Iso-ascaridol , Iso-Ascoridol , Isoascaridol
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms:
Smiles: CC([C@@]12CC[C@]3([C@@H]([C@H]2O1)O3)C)C
InChi : InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChi Key : InChIKey=LEZWCCRTFNBOBU-DOLQZWNJSA-N
PubChem ID : 351031
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.232532
Hydrogen bond donor count : 0 Electric dipole moment : 2.093
XLogP : 1.553 VDW volume : 162.027382
Molecular weight : 168.11503 HOMO-LUMO gap : 12.191000
Herb list :
Refrences & Litretures:
  
61.      Journal:'Talanta'      Year:'2008'      Volume:'76'      Page:'878'      DOI:'10.1016/j.talanta.2008.04.050'      Title:'Application of PLE for the determination of essential oil components from Thymus vulgaris L'
73.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'3034'      DOI:'10.1002/jssc.200900214'      Title:'Static and dynamic superheated water extraction of essential oil components fromThymus vulgaris L'
152.      Journal:'Int. J. Agric. Biol'      Year:'2011'      Volume:'12'      Page:'527'      DOI:''      Title:'Chemical Composition of the Essential Oils of some Achillea Species Growing Wild in Turkey'
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