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ScientificNameLabel
Tau-Nonalactone
PHCD compound ID : 609
Chemical Names :
Tau-Nonalactone
Molecular Formula : C9H16O2
Molecular Weight : 156.11503
More Details :
Names & Synonyms: oxecan-2-one , 2-oxecanone
Smiles: O=C1CCCCCCCCO1
InChi : InChI=1S/C9H16O2/c10-9-7-5-3-1-2-4-6-8-11-9/h1-8H2
InChi Key : InChIKey=FTXUQEKXCJSWMO-UHFFFAOYSA-N
PubChem ID : 138644
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.493146
Hydrogen bond donor count : 0 Electric dipole moment : 2.227
XLogP : 2.642 VDW volume : 166.807856
Molecular weight : 156.11503 HOMO-LUMO gap : 11.758000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
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