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ScientificNameLabel
methyl granate
PHCD compound ID : 1010
Chemical Names :
methyl granate , Methyl geraniate
Molecular Formula : C11H18O2
Molecular Weight : 182.13068
More Details :
Names & Synonyms: methyl (2E)-3,7-dimethylocta-2,6-dienoate , (2E)-3,7-dimethylocta-2,6-dienoic acid methyl ester
Smiles: COC(=O)/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+
InChi Key : InChIKey=ACOBBFVLNKYODD-CSKARUKUSA-N
PubChem ID : 5365910
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.328851
Hydrogen bond donor count : 0 Electric dipole moment : 1.609
XLogP : 2.941 VDW volume : 208.483367
Molecular weight : 182.13068 HOMO-LUMO gap : 9.460000
Herb list :
Refrences & Litretures:
  
102.      Journal:'J. Agr. Sci. Tech'      Year:'2011'      Volume:'13'      Page:'79'      DOI:''      Title:'Chemical Compositions of Essential Oils of Artemisia dracunculus L. and Endemic Matricaria chamomilla L. and an Evaluation of their Antioxidative Effects'
342.      Journal:'Sci. Pharm'      Year:'2006'      Volume:'74'      Page:'189'      DOI:'10.3797/scipharm.2006.74.189'      Title:'Antimicrobial testings, gas chromatographic analysis and olfactory evaluation of an essential oil of hop cones (Humulus lupulus L.) from Bavaria and some of its main compounds'
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