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ScientificNameLabel
pentyl propanoate
PHCD compound ID : 1137
Chemical Names :
pentyl propanoate , n-amyl propionate
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: pentyl propanoate , propanoic acid pentyl ester , propionic acid amyl ester
Smiles: CCCCCOC(=O)CC
InChi : InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChi Key : InChIKey=TWSRVQVEYJNFKQ-UHFFFAOYSA-N
PubChem ID : 12217
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.716355
Hydrogen bond donor count : 0 Electric dipole moment : 1.955
XLogP : 2.413 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.924000
Herb list :
Refrences & Litretures:
  
117.      Journal:'Rev. Bras. Farmacogn. Braz. J. Pharmacogn'      Year:'2012'      Volume:'22'      Page:'40'      DOI:'10.1590/S0102-695X2011005000186'      Title:'Organic and mineral fertilization and chemical composition of lemon balm (Melissa off cinalis) essential oil'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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