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2,6,6-trimethylcyclohexan-1,4-dione
PHCD compound ID : 1630
Chemical Names :
2,2,6-Trimethyl-1,4-cyclohe---xanedione , 2,6,6-trimethylcyclohexan-1,4-dione
Molecular Formula : C9H14O2
Molecular Weight : 154.09938
More Details :
Names & Synonyms: 2,2,6-trimethylcyclohexane-1,4-dione , 2,2,6-trimethylcyclohexane-1,4-quinone
Smiles: O=C1C[C@@H](C)C(=O)C(C1)(C)C
InChi : InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3/t6-/m1/s1
InChi Key : InChIKey=HVHHZSFNAYSPSA-ZCFIWIBFSA-N
PubChem ID : 30181
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.955390
Hydrogen bond donor count : 0 Electric dipole moment : 0.532
XLogP : 0.057 VDW volume : 164.171398
Molecular weight : 154.09938 HOMO-LUMO gap : 10.401000
Herb list :
Refrences & Litretures:
  
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
378.      Journal:'J. Agric. Food Chem'      Year:'1997'      Volume:'45'      Page:'459'      DOI:'10.1021/jf960105e'      Title:'Isolation and Identification of the Aroma Components from Saffron (Crocus sativus)'
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