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ScientificNameLabel
propyl butyrate
PHCD compound ID : 2306
Chemical Names :
Propyl butanoate , propyl butyrate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: propyl butanoate , butanoic acid propyl ester , butyric acid propyl ester
Smiles: CCCOC(=O)CCC
InChi : InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChi Key : InChIKey=HUAZGNHGCJGYNP-UHFFFAOYSA-N
PubChem ID : 7770
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.742295
Hydrogen bond donor count : 0 Electric dipole moment : 2.005
XLogP : 1.844 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.940000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
649.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'296'      DOI:'10.1080/10412905.2004.9698725'      Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'
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