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Neryl formate
PHCD compound ID : 900
Chemical Names :
Neryl formate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: [(2Z)-3,7-dimethylocta-2,6-dienyl] formate , formic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester , [(2Z)-3,7-dimethylocta-2,6-dienyl] methanoate
Smiles: O=COC/C=C(\CCC=C(C)C)/C
InChi : InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
InChi Key : InChIKey=FQMZVFJYMPNUCT-XFFZJAGNSA-N
PubChem ID : 5354882
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.983734
Hydrogen bond donor count : 0 Electric dipole moment : 1.473
XLogP : 3.028 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.972000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
530.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'3840'      DOI:'10.1021/jf021187b'      Title:'Sensory and Instrumental Evaluation of Catnip (Nepeta cataria L.) Aroma'
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
776.      Journal:'International Journal of Agriculture and Crop Sciences'      Year:'2013'      Volume:'5'      Page:'828'      DOI:''      Title:'Comparison of Salvia sclarea L. Essential Oil Components in Wild and Field Population'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
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