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ScientificNameLabel
Allyl hexanoate
PHCD compound ID : 5204
Chemical Names :
Allyl hexanoate
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: allyl hexanoate , hexanoic acid prop-2-enyl ester , prop-2-enyl hexanoate , hexanoic acid allyl ester
Smiles: CCCCCC(=O)OCC=C
InChi : InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
InChi Key : InChIKey=RCSBILYQLVXLJG-UHFFFAOYSA-N
PubChem ID : 31266
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.348625
Hydrogen bond donor count : 0 Electric dipole moment : 1.813
XLogP : 2.816 VDW volume : 176.527856
Molecular weight : 156.11503 HOMO-LUMO gap : 11.165000
Herb list :
Refrences & Litretures:
  
823.      Journal:'Asian J Pharm Clin Res'      Year:'2019'      Volume:'12'      Page:'124'      DOI:'10.22159/ajpcr.2019.v12i1.28418'      Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
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