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2,4,6-Triisopropylbenzoic acid
PHCD compound ID : 4416
Chemical Names :
2,4,6-Triisopropylbenzoic acid
Molecular Formula : C16H24O2
Molecular Weight : 248.17763
More Details :
Names & Synonyms: 2,4,6-triisopropylbenzoic acid , 2,4,6-tri(propan-2-yl)benzoic acid
Smiles: CC(c1cc(cc(c1C(=O)O)C(C)C)C(C)C)C
InChi : InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
InChi Key : InChIKey=ULVHAZFBJJXIDO-UHFFFAOYSA-N
PubChem ID : 96214
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.494783
Hydrogen bond donor count : 1 Electric dipole moment : 2.418
XLogP : 5.062 VDW volume : 269.070373
Molecular weight : 248.17763 HOMO-LUMO gap : 9.465000
Herb list :
Refrences & Litretures:
  
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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