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ScientificNameLabel
Pentyl acetate
PHCD compound ID : 2272
Chemical Names :
Pentyl acetate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: pentyl acetate , acetic acid pentyl ester , pentyl ethanoate , acetic acid amyl ester
Smiles: CCCCCOC(=O)C
InChi : InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChi Key : InChIKey=PGMYKACGEOXYJE-UHFFFAOYSA-N
PubChem ID : 12348
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.842062
Hydrogen bond donor count : 0 Electric dipole moment : 2.205
XLogP : 2.16 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.987000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
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