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ScientificNameLabel
Sabinyl acetate
PHCD compound ID : 313
Chemical Names :
Sabinyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl) acetate , acetic acid (4-methylene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) ester , (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate , (4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) ethanoate , acetic acid (1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl) ester
Smiles: CC(=O)O[C@@H]1C[C@@]2([C@H](C1=C)C2)C(C)C
InChi : InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11+,12+/m0/s1
InChi Key : InChIKey=PBWRFXQNNGSAQG-QJPTWQEYSA-N
PubChem ID : 94266
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.783326
Hydrogen bond donor count : 0 Electric dipole moment : 2.005
XLogP : 2.932 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.476000
Herb list :
Refrences & Litretures:
  
18.      Journal:'Journal of Chemistry'      Year:'2015'      Volume:''      Page:'804658'      DOI:'10.1155/2015/804658'      Title:'Chemical Composition and Antioxidant and Antimicrobial Activities of Wormwood (Artemisia absinthium L.) Essential Oils and Phenolics'
125.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'124'      DOI:''      Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
366.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1108'      DOI:'10.1080/0972060X.2014.884763'      Title:'Screening of the Essential Oil, Hexane Extract, Chemical Composition, Antioxidant Activity, andAntimicrobial Acitivity of the Flower Rheum ribes L. from Iran'
367.      Journal:'J Pharm Health Sci'      Year:'2014'      Volume:'2'      Page:'115'      DOI:''      Title:'Screening of Flowers Essential Oil and Hexane Extract of Rheum ribes L. from Iran- Chemical Composition, Antioxidant and Antimicrobial Activities'
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