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ScientificNameLabel
Trans-pulegone oxide
PHCD compound ID : 1926
Chemical Names :
Trans-pulegone oxide
Molecular Formula : C10H16O2
Molecular Weight : 168.11503
More Details :
Names & Synonyms: 2,2,6-trimethyl-1-oxaspiro[2.5]octan-4-one
Smiles: C[C@H]1CC[C@@]2(C(=O)C1)OC2(C)C
InChi : InChI=1S/C10H16O2/c1-7-4-5-10(8(11)6-7)9(2,3)12-10/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
InChi Key : InChIKey=OFUGTKAUAMKFPM-XVKPBYJWSA-N
PubChem ID : 330109
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.737939
Hydrogen bond donor count : 0 Electric dipole moment : 4.838
XLogP : 1.326 VDW volume : 171.747382
Molecular weight : 168.11503 HOMO-LUMO gap : 10.440000
Herb list :
Refrences & Litretures:
  
228.      Journal:'Food Research International'      Year:'2012'      Volume:'45'      Page:'313'      DOI:'10.1016/j.foodres.2011.09.004'      Title:'Evaluation of the chemical composition and antimicrobial activity of Mentha pulegium, Juniperus phoenicea, and Cyperus longus essential oils from Morocco'
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