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ScientificNameLabel
Hexyl formate
PHCD compound ID : 2267
Chemical Names :
Hexyl formate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: hexyl formate , formic acid hexyl ester , hexyl methanoate
Smiles: CCCCCCOC=O
InChi : InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
InChi Key : InChIKey=OUGPMNMLWKSBRI-UHFFFAOYSA-N
PubChem ID : 61177
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.982287
Hydrogen bond donor count : 0 Electric dipole moment : 2.114
XLogP : 2.493 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.880000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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