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Mint furanone 1
PHCD compound ID : 1908
Chemical Names :
Mint furanone 1
Molecular Formula : C11H16O1
Molecular Weight : 164.120115
More Details :
Names & Synonyms: 3,6-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-one
Smiles: C[C@@H]1CCC2=C(C(=O)C[C@@H]2C1)C
InChi : InChI=1S/C11H16O/c1-7-3-4-10-8(2)11(12)6-9(10)5-7/h7,9H,3-6H2,1-2H3/t7-,9+/m1/s1
InChi Key : InChIKey=ZTLFUUKHQXBDDM-APPZFPTMSA-N
PubChem ID : 91753282
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.614853
Hydrogen bond donor count : 0 Electric dipole moment : 4.163
XLogP : 2.185 VDW volume : 177.616681
Molecular weight : 164.120115 HOMO-LUMO gap : 9.739000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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