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ScientificNameLabel
Methyl-3(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
PHCD compound ID : 5677
Chemical Names :
Methyl-3(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
Molecular Formula : C18H28O3
Molecular Weight : 292.203845
More Details :
Names & Synonyms: methyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate , 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid methyl ester , methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate , methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate , methyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate , 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid methyl ester
Smiles: COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi : InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3
InChi Key : InChIKey=PXMJCECEFTYEKE-UHFFFAOYSA-N
PubChem ID : 62603
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.696596
Hydrogen bond donor count : 1 Electric dipole moment : 2.628
XLogP : 3.94 VDW volume : 312.452569
Molecular weight : 292.203845 HOMO-LUMO gap : 8.962000
Herb list :
Refrences & Litretures:
  
956.      Journal:'Research Journal of Pharmacognosy'      Year:'2018'      Volume:'5'      Page:'31'      DOI:'10.22127/rjp.2018.64870'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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