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ScientificNameLabel
Gamma-Octalactone
PHCD compound ID : 2200
Chemical Names :
Gamma-butylbutyrolactone , Gamma-Octalactone
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: 5-butyltetrahydrofuran-2-one , 5-butyl-2-oxolanone , 5-butyloxolan-2-one
Smiles: CCCC[C@H]1CCC(=O)O1
InChi : InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m0/s1
InChi Key : InChIKey=IPBFYZQJXZJBFQ-ZETCQYMHSA-N
PubChem ID : 7704
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.704452
Hydrogen bond donor count : 0 Electric dipole moment : 4.680
XLogP : 2.175 VDW volume : 149.511872
Molecular weight : 142.09938 HOMO-LUMO gap : 11.857000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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