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ScientificNameLabel
Methyl tiglate
PHCD compound ID : 4207
Chemical Names :
Methyl tiglate
Molecular Formula : C6H10O2
Molecular Weight : 114.06808
More Details :
Names & Synonyms: methyl (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid methyl ester , (E)-2-methylbut-2-enoic acid methyl ester
Smiles: COC(=O)/C(=C/C)/C
InChi : InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChi Key : InChIKey=YYJWBYNQJLBIGS-SNAWJCMRSA-N
PubChem ID : 5323652
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.064895
Hydrogen bond donor count : 0 Electric dipole moment : 2.329
XLogP : 1.238 VDW volume : 124.639902
Molecular weight : 114.06808 HOMO-LUMO gap : 10.103000
Herb list :
Refrences & Litretures:
  
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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