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L-Fenchone
ScientificNameLabel
L-Fenchone
PHCD compound ID :
3102
Chemical Names :
L-Fenchone
Molecular Formula :
C10H16O1
Molecular Weight :
152.120115
More Details :
Names & Synonyms:
(1R,4R)-1,3,3-trimethylnorbornan-2-one , (1R,4R)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanone , (1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
Smiles:
O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2
InChi :
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChi Key :
InChIKey=LHXDLQBQYFFVNW-XCBNKYQSSA-N
PubChem ID :
3034206
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.446498
Hydrogen bond donor count :
0
Electric dipole moment :
2.808
XLogP :
1.507
VDW volume :
162.957156
Molecular weight :
152.120115
HOMO-LUMO gap :
10.527000
Herb list :
Cumin - Cuminum cyminum - زیره سبز
Refrences & Litretures:
410. Journal:'Food Chemistry' Year:'2009' Volume:'115' Page:'1114' DOI:'10.1016/j.foodchem.2008.12.091' Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
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