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ScientificNameLabel
methyl-3,5-di-tert-bytyl-4-hdroxybenzoate
PHCD compound ID : 2096
Chemical Names :
methyl-3,5-di-tert-bytyl-4-hdroxybenzoate
Molecular Formula : C16H24O3
Molecular Weight : 264.172545
More Details :
Names & Synonyms: methyl 3,5-ditert-butyl-4-hydroxy-benzoate , 3,5-ditert-butyl-4-hydroxybenzoic acid methyl ester , methyl 3,5-ditert-butyl-4-hydroxybenzoate , methyl 3,5-ditert-butyl-4-oxidanyl-benzoate , 3,5-ditert-butyl-4-hydroxy-benzoic acid methyl ester
Smiles: COC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi : InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
InChi Key : InChIKey=UPVYFJALDJUSOV-UHFFFAOYSA-N
PubChem ID : 75639
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.126154
Hydrogen bond donor count : 1 Electric dipole moment : 2.320
XLogP : 3.711 VDW volume : 277.860599
Molecular weight : 264.172545 HOMO-LUMO gap : 8.859000
Herb list :
Refrences & Litretures:
  
250.      Journal:'Revista Cubana de Qu?mica'      Year:'2010'      Volume:'XXII'      Page:'65'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Tamarindus indica L. LEAVES'
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