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ScientificNameLabel
Artemisyl acetate
PHCD compound ID : 1479
Chemical Names :
Artemisyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [1-(1,1-dimethylallyl)-3-methyl-but-2-enyl] acetate , acetic acid 3,3,6-trimethylhepta-1,5-dien-4-yl ester , 3,3,6-trimethylhepta-1,5-dien-4-yl acetate , 3,3,6-trimethylhepta-1,5-dien-4-yl ethanoate , acetic acid [1-(1,1-dimethylallyl)-3-methyl-but-2-enyl] ester
Smiles: C=CC([C@@H](C=C(C)C)OC(=O)C)(C)C
InChi : InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m1/s1
InChi Key : InChIKey=NGIKFWJEQGLTBM-LLVKDONJSA-N
PubChem ID : 524254
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.394232
Hydrogen bond donor count : 0 Electric dipole moment : 1.589
XLogP : 3.023 VDW volume : 225.779352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.435000
Herb list :
Refrences & Litretures:
  
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
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