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ScientificNameLabel
D-Citronellol
PHCD compound ID : 2432
Chemical Names :
D-Citronellol
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: (3R)-3,7-dimethyloct-6-en-1-ol , (3R)-3,7-dimethyl-6-octen-1-ol
Smiles: OCC[C@@H](CCC=C(C)C)C
InChi : InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
InChi Key : InChIKey=QMVPMAAFGQKVCJ-SNVBAGLBSA-N
PubChem ID : 101977
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.227924
Hydrogen bond donor count : 1 Electric dipole moment : 1.512
XLogP : 3.286 VDW volume : 187.670073
Molecular weight : 156.151415 HOMO-LUMO gap : 10.580000
Herb list :
Refrences & Litretures:
  
275.      Journal:'J Sci Food Agric'      Year:'2012'      Volume:'92'      Page:'593'      DOI:'10.1002/jsfa.4613'      Title:'Chemical composition, antioxidant and cytotoxicity activities of the essential oils of Myristica fragrans and Morinda citrifolia'
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