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ScientificNameLabel
dehydrosabina ketone
PHCD compound ID : 1286
Chemical Names :
Dehydro-sabina ketone , dehydrosabina ketone , Dehydro-sabina ketone ti
Molecular Formula : C9H12O1
Molecular Weight : 136.088815
More Details :
Names & Synonyms: 1-isopropylbicyclo[3.1.0]hex-2-en-4-one , 1-propan-2-yl-4-bicyclo[3.1.0]hex-2-enone , 1-propan-2-ylbicyclo[3.1.0]hex-2-en-4-one
Smiles: CC([C@]12C=CC(=O)[C@@H]2C1)C
InChi : InChI=1S/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3/t7-,9-/m0/s1
InChi Key : InChIKey=IBMZINAPWMATGM-CBAPKCEASA-N
PubChem ID : 527426
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.108121
Hydrogen bond donor count : 0 Electric dipole moment : 4.067
XLogP : 1.614 VDW volume : 143.024712
Molecular weight : 136.088815 HOMO-LUMO gap : 9.704000
Herb list :
Refrences & Litretures:
  
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
383.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'186'      DOI:'10.1080/10412905.2004'      Title:'Chemical Composition of the Essential Oil of Zingiber officinale Roscoe L. from Cuba'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
917.      Journal:'International Letters of Chemistry, Physics and Astronomy'      Year:'2013'      Volume:'13'      Page:'210'      DOI:'10.18052/www.scipress.com/ILCPA.13.210'      Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
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