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ScientificNameLabel
ethyl heptanoate
PHCD compound ID : 1606
Chemical Names :
ethyl heptanoate , ethyl oenanthate
Molecular Formula : C9H18O2
Molecular Weight : 158.13068
More Details :
Names & Synonyms: ethyl heptanoate , heptanoic acid ethyl ester , enanthic acid ethyl ester
Smiles: CCCCCCC(=O)OCC
InChi : InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChi Key : InChIKey=TVQGDYNRXLTQAP-UHFFFAOYSA-N
PubChem ID : 7797
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.736276
Hydrogen bond donor count : 0 Electric dipole moment : 1.975
XLogP : 3.193 VDW volume : 179.164315
Molecular weight : 158.13068 HOMO-LUMO gap : 11.931000
Herb list :
Refrences & Litretures:
  
179.      Journal:'Journal of Essential Oil Research'      Year:'1998'      Volume:'10'      Page:'427'      DOI:'10.1080/10412905.1998.9700934'      Title:'Chemical Composition of the Leaf Oil of Achillea millefolium L. Grown in Cuba'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
794.      Journal:'J Food Biochem'      Year:'2019'      Volume:'43'      Page:'e12782'      DOI:'10.1111/jfbc.12782'      Title:'Antioxidant activity of Anethum graveolens L. essential oil constituents and their chemical analogues'
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