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ScientificNameLabel
Dehydronerolidol
PHCD compound ID : 1021
Chemical Names :
Dehydronerolidol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol , (6E)-3,7,11-trimethyl-3-dodeca-6,10-dien-1-ynol
Smiles: C#C[C@@](CC/C=C(/CCC=C(C)C)\C)(O)C
InChi : InChI=1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,9,11,16H,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1
InChi Key : InChIKey=ZNVPGYAGXVEAFP-GOFCXVBSSA-N
PubChem ID : 5365823
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.038012
Hydrogen bond donor count : 1 Electric dipole moment : 1.810
XLogP : 3.943 VDW volume : 266.24062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.319000
Herb list :
Refrences & Litretures:
  
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
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