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ScientificNameLabel
3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
PHCD compound ID : 4576
Chemical Names :
3-(3,5-di-tert-butyl-4-hydroxyphenyl) propionate
Molecular Formula : C17H25O3
Molecular Weight : 277.18037
More Details :
Names & Synonyms: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate , 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate , 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate , 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionate
Smiles: [O-]C(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi : InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)/p-1
InChi Key : InChIKey=WPMYUUITDBHVQZ-UHFFFAOYSA-M
PubChem ID : 3810668
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 4.489835
Hydrogen bond donor count : 1 Electric dipole moment : 23.499
XLogP : 3.138 VDW volume : 293.838355
Molecular weight : 277.18037 HOMO-LUMO gap : 7.224000
Herb list :
Refrences & Litretures:
  
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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