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ScientificNameLabel
Isopropyl tiglate
PHCD compound ID : 4781
Chemical Names :
Isopropyl tiglate
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: isopropyl (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid propan-2-yl ester , propan-2-yl (E)-2-methylbut-2-enoate , (E)-2-methylbut-2-enoic acid isopropyl ester
Smiles: C/C=C(/C(=O)OC(C)C)\C
InChi : InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
InChi Key : InChIKey=VUPBIVVRPJDWNW-FNORWQNLSA-N
PubChem ID : 5367745
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.974400
Hydrogen bond donor count : 0 Electric dipole moment : 2.357
XLogP : 2.121 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.121000
Herb list :
Refrences & Litretures:
  
765.      Journal:'Jundishapur J Nat Pharm Prod'      Year:'2014'      Volume:'9'      Page:'1'      DOI:'10.17795/jjnpp-16432'      Title:'Influence of Environment on Glandular Trichomes and Composition of Essential Oil of Perovskia abrotanoides Karel'
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