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Iso bornyl acetate
PHCD compound ID : 1989
Chemical Names :
Iso bornyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(2S)-1,7,7-trimethylnorbornan-2-yl] acetate , acetic acid [(3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate , [(3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(2S)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: CC(=O)O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
InChi : InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m1/s1
InChi Key : InChIKey=KGEKLUUHTZCSIP-SCVCMEIPSA-N
PubChem ID : 443131
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.282784
Hydrogen bond donor count : 0 Electric dipole moment : 2.189
XLogP : 3.474 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.529000
Herb list :
Refrences & Litretures:
  
238.      Journal:'Jundishapur J Microbiol'      Year:'2013'      Volume:'6'      Page:'e7877'      DOI:'10.5812/jjm.7877'      Title:'The Evaluation of the Antibacterial and Antioxidant Activity of Tarragon (Artemisia dracunculus L.) Essential Oil and Its Chemical Composition'
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