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ScientificNameLabel
Methyl-n-heptanoa
PHCD compound ID : 2072
Chemical Names :
Methyl-n-heptanoa , Methyl heptanoate
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: methyl heptanoate , heptanoic acid methyl ester , enanthic acid methyl ester
Smiles: CCCCCCC(=O)OC
InChi : InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChi Key : InChIKey=XNCNNDVCAUWAIT-UHFFFAOYSA-N
PubChem ID : 7826
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.804048
Hydrogen bond donor count : 0 Electric dipole moment : 1.739
XLogP : 2.77 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.933000
Herb list :
Refrences & Litretures:
  
249.      Journal:'Pak. J. Bot'      Year:'2008'      Volume:'40'      Page:'2553'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF TAMARINDUS INDICA L. MEDICINAL PLANT IN SINDH'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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